PLUMED: PLUMED is starting
PLUMED: Version: 2.10.0 (git: 09264719e) compiled on Jun 10 2026 at 10:34:57
PLUMED: Please cite these papers when using PLUMED [1][2]
PLUMED: For further information see the PLUMED web page at http://www.plumed.org
PLUMED: Root: /home/runner/opt/lib/plumed
PLUMED: LibraryPath: /home/runner/opt/lib/libplumedKernel.so
PLUMED: For installed feature, see /home/runner/opt/lib/plumed/src/config/config.txt
PLUMED: Molecular dynamics engine: driver
PLUMED: Precision of reals: 8
PLUMED: Running over 1 node
PLUMED: Number of threads: 1
PLUMED: Cache line size: 512
PLUMED: Number of atoms: 100000
PLUMED: File suffix: 
PLUMED: FILE: plumed.dat
PLUMED: Action MOLINFO
PLUMED:   with label @0
PLUMED:   pdb file named folded.pdb contains 1 chains 
PLUMED:   chain named   contains residues 1 to 20 and atoms 1 to 272 
PLUMED: Action GROUP
PLUMED:   with label WO
PLUMED:   list of atoms:
PLUMED:  273 277 281 285 289 293 297 301 305 309 313 317 321 325 329 333 337 341 345 349 353 357 361 365 369
PLUMED:  373 377 381 385 389 393 397 401 405 409 413 417 421 425 429 433 437 441 445 449 453 457 461 465 469
PLUMED:  473 477 481 485 489 493 497 501 505 509 513 517 521 525 529 533 537 541 545 549 553 557 561 565 569
PLUMED:  573 577 581 585 589 593 597 601 605 609 613 617 621 625 629 633 637 641 645 649 653 657 661 665 669
PLUMED:  673 677 681 685 689 693 697 701 705 709 713 717 721 725 729 733 737 741 745 749 753 757 761 765 769
PLUMED:  773 777 781 785 789 793 797 801 805 809 813 817 821 825 829 833 837 841 845 849 853 857 861 865 869
PLUMED:  873 877 881 885 889 893 897 901 905 909 913 917 921 925 929 933 937 941 945 949 953 957 961 965 969
PLUMED:  973 977 981 985 989 993 997 1001 1005 1009 1013 1017 1021 1025 1029 1033 1037 1041 1045 1049 1053 1057 1061 1065 1069
PLUMED:  1073 1077 1081 1085 1089 1093 1097 1101 1105 1109 1113 1117 1121 1125 1129 1133 1137 1141 1145 1149 1153 1157 1161 1165 1169
PLUMED:  1173 1177 1181 1185 1189 1193 1197 1201 1205 1209 1213 1217 1221 1225 1229 1233 1237 1241 1245 1249 1253 1257 1261 1265 1269
PLUMED:  1273 1277 1281 1285 1289 1293 1297 1301 1305 1309 1313 1317 1321 1325 1329 1333 1337 1341 1345 1349 1353 1357 1361 1365 1369
PLUMED:  1373 1377 1381 1385 1389 1393 1397 1401 1405 1409 1413 1417 1421 1425 1429 1433 1437 1441 1445 1449 1453 1457 1461 1465 1469
PLUMED:  1473 1477 1481 1485 1489 1493 1497 1501 1505 1509 1513 1517 1521 1525 1529 1533 1537 1541 1545 1549 1553 1557 1561 1565 1569
PLUMED:  1573 1577 1581 1585 1589 1593 1597 1601 1605 1609 1613 1617 1621 1625 1629 1633 1637 1641 1645 1649 1653 1657 1661 1665 1669
PLUMED:  1673 1677 1681 1685 1689 1693 1697 1701 1705 1709 1713 1717 1721 1725 1729 1733 1737 1741 1745 1749 1753 1757 1761 1765 1769
PLUMED:  1773 1777 1781 1785 1789 1793 1797 1801 1805 1809 1813 1817 1821 1825 1829 1833 1837 1841 1845 1849 1853 1857 1861 1865 1869
PLUMED:  1873 1877 1881 1885 1889 1893 1897 1901 1905 1909 1913 1917 1921 1925 1929 1933 1937 1941 1945 1949 1953 1957 1961 1965 1969
PLUMED:  1973 1977 1981 1985 1989 1993 1997 2001 2005 2009 2013 2017 2021 2025 2029 2033 2037 2041 2045 2049 2053 2057 2061 2065 2069
PLUMED:  2073 2077 2081 2085 2089 2093 2097 2101 2105 2109 2113 2117 2121 2125 2129 2133 2137 2141 2145 2149 2153 2157 2161 2165 2169
PLUMED:  2173 2177 2181 2185 2189 2193 2197 2201 2205 2209 2213 2217 2221 2225 2229 2233 2237 2241 2245 2249 2253 2257 2261 2265 2269
PLUMED:  2273 2277 2281 2285 2289 2293 2297 2301 2305 2309 2313 2317 2321 2325 2329 2333 2337 2341 2345 2349 2353 2357 2361 2365 2369
PLUMED:  2373 2377 2381 2385 2389 2393 2397 2401 2405 2409 2413 2417 2421 2425 2429 2433 2437 2441 2445 2449 2453 2457 2461 2465 2469
PLUMED:  2473 2477 2481 2485 2489 2493 2497 2501 2505 2509 2513 2517 2521 2525 2529 2533 2537 2541 2545 2549 2553 2557 2561 2565 2569
PLUMED:  2573 2577 2581 2585 2589 2593 2597 2601 2605 2609 2613 2617 2621 2625 2629 2633 2637 2641 2645 2649 2653 2657 2661 2665 2669
PLUMED:  2673 2677 2681 2685 2689 2693 2697 2701 2705 2709 2713 2717 2721 2725 2729 2733 2737 2741 2745 2749 2753 2757 2761 2765 2769
PLUMED:  2773 2777 2781 2785 2789 2793 2797 2801 2805 2809 2813 2817 2821 2825 2829 2833 2837 2841 2845 2849 2853 2857 2861 2865 2869
PLUMED:  2873 2877 2881 2885 2889 2893 2897 2901 2905 2909 2913 2917 2921 2925 2929 2933 2937 2941 2945 2949 2953 2957 2961 2965 2969
PLUMED:  2973 2977 2981 2985 2989 2993 2997 3001 3005 3009 3013 3017 3021 3025 3029 3033 3037 3041 3045 3049 3053 3057 3061 3065 3069
PLUMED:  3073 3077 3081 3085 3089 3093 3097 3101 3105 3109 3113 3117 3121 3125 3129 3133 3137 3141 3145 3149 3153 3157 3161 3165 3169
PLUMED:  3173 3177 3181 3185 3189 3193 3197 3201 3205 3209 3213 3217 3221 3225 3229 3233 3237 3241 3245 3249 3253 3257 3261 3265 3269
PLUMED:  3273 3277 3281 3285 3289 3293 3297 3301 3305 3309 3313 3317 3321 3325 3329 3333 3337 3341 3345 3349 3353 3357 3361 3365 3369
PLUMED:  3373 3377 3381 3385 3389 3393 3397 3401 3405 3409 3413 3417 3421 3425 3429 3433 3437 3441 3445 3449 3453 3457 3461 3465 3469
PLUMED:  3473 3477 3481 3485 3489 3493 3497 3501 3505 3509 3513 3517 3521 3525 3529 3533 3537 3541 3545 3549 3553 3557 3561 3565 3569
PLUMED:  3573 3577 3581 3585 3589 3593 3597 3601 3605 3609 3613 3617 3621 3625 3629 3633 3637 3641 3645 3649 3653 3657 3661 3665 3669
PLUMED:  3673 3677 3681 3685 3689 3693 3697 3701 3705 3709 3713 3717 3721 3725 3729 3733 3737 3741 3745 3749 3753 3757 3761 3765 3769
PLUMED:  3773 3777 3781 3785 3789 3793 3797 3801 3805 3809 3813 3817 3821 3825 3829 3833 3837 3841 3845 3849 3853 3857 3861 3865 3869
PLUMED:  3873 3877 3881 3885 3889 3893 3897 3901 3905 3909 3913 3917 3921 3925 3929 3933 3937 3941 3945 3949 3953 3957 3961 3965 3969
PLUMED:  3973 3977 3981 3985 3989 3993 3997 4001 4005 4009 4013 4017 4021 4025 4029 4033 4037 4041 4045 4049 4053 4057 4061 4065 4069
PLUMED:  4073 4077 4081 4085 4089 4093 4097 4101 4105 4109 4113 4117 4121 4125 4129 4133 4137 4141 4145 4149 4153 4157 4161 4165 4169
PLUMED:  4173 4177 4181 4185 4189 4193 4197 4201 4205 4209 4213 4217 4221 4225 4229 4233 4237 4241 4245 4249 4253 4257 4261 4265 4269
PLUMED:  4273 4277 4281 4285 4289 4293 4297 4301 4305 4309 4313 4317 4321 4325 4329 4333 4337 4341 4345 4349 4353 4357 4361 4365 4369
PLUMED:  4373 4377 4381 4385 4389 4393 4397 4401 4405 4409 4413 4417 4421 4425 4429 4433 4437 4441 4445 4449 4453 4457 4461 4465 4469
PLUMED:  4473 4477 4481 4485 4489 4493 4497 4501 4505 4509 4513 4517 4521 4525 4529 4533 4537 4541 4545 4549 4553 4557 4561 4565 4569
PLUMED:  4573 4577 4581 4585 4589 4593 4597 4601 4605 4609 4613 4617 4621 4625 4629 4633 4637 4641 4645 4649 4653 4657 4661 4665 4669
PLUMED:  4673 4677 4681 4685 4689 4693 4697 4701 4705 4709 4713 4717 4721 4725 4729 4733 4737 4741 4745 4749 4753 4757 4761 4765 4769
PLUMED:  4773 4777 4781 4785 4789 4793 4797 4801 4805 4809 4813 4817 4821 4825 4829 4833 4837 4841 4845 4849 4853 4857 4861 4865 4869
PLUMED:  4873 4877 4881 4885 4889 4893 4897 4901 4905 4909 4913 4917 4921 4925 4929 4933 4937 4941 4945 4949 4953 4957 4961 4965 4969
PLUMED:  4973 4977 4981 4985 4989 4993 4997 5001 5005 5009 5013 5017 5021 5025 5029 5033 5037 5041 5045 5049 5053 5057 5061 5065 5069
PLUMED:  5073 5077 5081 5085 5089 5093 5097 5101 5105 5109 5113 5117 5121 5125 5129 5133 5137 5141 5145 5149 5153 5157 5161 5165 5169
PLUMED:  5173 5177 5181 5185 5189 5193 5197 5201 5205 5209 5213 5217 5221 5225 5229 5233 5237 5241 5245 5249 5253 5257 5261 5265 5269
PLUMED:  5273 5277 5281 5285 5289 5293 5297 5301 5305 5309 5313 5317 5321 5325 5329 5333 5337 5341 5345 5349 5353 5357 5361 5365 5369
PLUMED:  5373 5377 5381 5385 5389 5393 5397 5401 5405 5409 5413 5417 5421 5425 5429 5433 5437 5441 5445 5449 5453 5457 5461 5465 5469
PLUMED:  5473 5477 5481 5485 5489 5493 5497 5501 5505 5509 5513 5517 5521 5525 5529 5533 5537 5541 5545 5549 5553 5557 5561 5565 5569
PLUMED:  5573 5577 5581 5585 5589 5593 5597 5601 5605 5609 5613 5617 5621 5625 5629 5633 5637 5641 5645 5649 5653 5657 5661 5665 5669
PLUMED:  5673 5677 5681 5685 5689 5693 5697 5701 5705 5709 5713 5717 5721 5725 5729 5733 5737 5741 5745 5749 5753 5757 5761 5765 5769
PLUMED:  5773 5777 5781 5785 5789 5793 5797 5801 5805 5809 5813 5817 5821 5825 5829 5833 5837 5841 5845 5849 5853 5857 5861 5865 5869
PLUMED:  5873 5877 5881 5885 5889 5893 5897 5901 5905 5909 5913 5917 5921 5925 5929 5933 5937 5941 5945 5949 5953 5957 5961 5965 5969
PLUMED:  5973 5977 5981 5985 5989 5993 5997 6001 6005 6009 6013 6017 6021 6025 6029 6033 6037 6041 6045 6049 6053 6057 6061 6065 6069
PLUMED:  6073 6077 6081 6085 6089 6093 6097 6101 6105 6109 6113 6117 6121 6125 6129 6133 6137 6141 6145 6149 6153 6157 6161 6165 6169
PLUMED:  6173 6177 6181 6185 6189 6193 6197 6201 6205 6209 6213 6217 6221 6225 6229 6233 6237 6241 6245 6249 6253 6257 6261 6265 6269
PLUMED:  6273 6277 6281 6285 6289 6293 6297 6301 6305 6309 6313 6317 6321 6325 6329 6333 6337 6341 6345 6349 6353 6357 6361 6365 6369
PLUMED:  6373 6377 6381 6385 6389 6393 6397 6401 6405 6409 6413 6417 6421 6425
PLUMED: Action GROUP
PLUMED:   with label WH
PLUMED:   list of atoms:
PLUMED:  274 278 282 286 290 294 298 302 306 310 314 318 322 326 330 334 338 342 346 350 354 358 362 366 370
PLUMED:  374 378 382 386 390 394 398 402 406 410 414 418 422 426 430 434 438 442 446 450 454 458 462 466 470
PLUMED:  474 478 482 486 490 494 498 502 506 510 514 518 522 526 530 534 538 542 546 550 554 558 562 566 570
PLUMED:  574 578 582 586 590 594 598 602 606 610 614 618 622 626 630 634 638 642 646 650 654 658 662 666 670
PLUMED:  674 678 682 686 690 694 698 702 706 710 714 718 722 726 730 734 738 742 746 750 754 758 762 766 770
PLUMED:  774 778 782 786 790 794 798 802 806 810 814 818 822 826 830 834 838 842 846 850 854 858 862 866 870
PLUMED:  874 878 882 886 890 894 898 902 906 910 914 918 922 926 930 934 938 942 946 950 954 958 962 966 970
PLUMED:  974 978 982 986 990 994 998 1002 1006 1010 1014 1018 1022 1026 1030 1034 1038 1042 1046 1050 1054 1058 1062 1066 1070
PLUMED:  1074 1078 1082 1086 1090 1094 1098 1102 1106 1110 1114 1118 1122 1126 1130 1134 1138 1142 1146 1150 1154 1158 1162 1166 1170
PLUMED:  1174 1178 1182 1186 1190 1194 1198 1202 1206 1210 1214 1218 1222 1226 1230 1234 1238 1242 1246 1250 1254 1258 1262 1266 1270
PLUMED:  1274 1278 1282 1286 1290 1294 1298 1302 1306 1310 1314 1318 1322 1326 1330 1334 1338 1342 1346 1350 1354 1358 1362 1366 1370
PLUMED:  1374 1378 1382 1386 1390 1394 1398 1402 1406 1410 1414 1418 1422 1426 1430 1434 1438 1442 1446 1450 1454 1458 1462 1466 1470
PLUMED:  1474 1478 1482 1486 1490 1494 1498 1502 1506 1510 1514 1518 1522 1526 1530 1534 1538 1542 1546 1550 1554 1558 1562 1566 1570
PLUMED:  1574 1578 1582 1586 1590 1594 1598 1602 1606 1610 1614 1618 1622 1626 1630 1634 1638 1642 1646 1650 1654 1658 1662 1666 1670
PLUMED:  1674 1678 1682 1686 1690 1694 1698 1702 1706 1710 1714 1718 1722 1726 1730 1734 1738 1742 1746 1750 1754 1758 1762 1766 1770
PLUMED:  1774 1778 1782 1786 1790 1794 1798 1802 1806 1810 1814 1818 1822 1826 1830 1834 1838 1842 1846 1850 1854 1858 1862 1866 1870
PLUMED:  1874 1878 1882 1886 1890 1894 1898 1902 1906 1910 1914 1918 1922 1926 1930 1934 1938 1942 1946 1950 1954 1958 1962 1966 1970
PLUMED:  1974 1978 1982 1986 1990 1994 1998 2002 2006 2010 2014 2018 2022 2026 2030 2034 2038 2042 2046 2050 2054 2058 2062 2066 2070
PLUMED:  2074 2078 2082 2086 2090 2094 2098 2102 2106 2110 2114 2118 2122 2126 2130 2134 2138 2142 2146 2150 2154 2158 2162 2166 2170
PLUMED:  2174 2178 2182 2186 2190 2194 2198 2202 2206 2210 2214 2218 2222 2226 2230 2234 2238 2242 2246 2250 2254 2258 2262 2266 2270
PLUMED:  2274 2278 2282 2286 2290 2294 2298 2302 2306 2310 2314 2318 2322 2326 2330 2334 2338 2342 2346 2350 2354 2358 2362 2366 2370
PLUMED:  2374 2378 2382 2386 2390 2394 2398 2402 2406 2410 2414 2418 2422 2426 2430 2434 2438 2442 2446 2450 2454 2458 2462 2466 2470
PLUMED:  2474 2478 2482 2486 2490 2494 2498 2502 2506 2510 2514 2518 2522 2526 2530 2534 2538 2542 2546 2550 2554 2558 2562 2566 2570
PLUMED:  2574 2578 2582 2586 2590 2594 2598 2602 2606 2610 2614 2618 2622 2626 2630 2634 2638 2642 2646 2650 2654 2658 2662 2666 2670
PLUMED:  2674 2678 2682 2686 2690 2694 2698 2702 2706 2710 2714 2718 2722 2726 2730 2734 2738 2742 2746 2750 2754 2758 2762 2766 2770
PLUMED:  2774 2778 2782 2786 2790 2794 2798 2802 2806 2810 2814 2818 2822 2826 2830 2834 2838 2842 2846 2850 2854 2858 2862 2866 2870
PLUMED:  2874 2878 2882 2886 2890 2894 2898 2902 2906 2910 2914 2918 2922 2926 2930 2934 2938 2942 2946 2950 2954 2958 2962 2966 2970
PLUMED:  2974 2978 2982 2986 2990 2994 2998 3002 3006 3010 3014 3018 3022 3026 3030 3034 3038 3042 3046 3050 3054 3058 3062 3066 3070
PLUMED:  3074 3078 3082 3086 3090 3094 3098 3102 3106 3110 3114 3118 3122 3126 3130 3134 3138 3142 3146 3150 3154 3158 3162 3166 3170
PLUMED:  3174 3178 3182 3186 3190 3194 3198 3202 3206 3210 3214 3218 3222 3226 3230 3234 3238 3242 3246 3250 3254 3258 3262 3266 3270
PLUMED:  3274 3278 3282 3286 3290 3294 3298 3302 3306 3310 3314 3318 3322 3326 3330 3334 3338 3342 3346 3350 3354 3358 3362 3366 3370
PLUMED:  3374 3378 3382 3386 3390 3394 3398 3402 3406 3410 3414 3418 3422 3426 3430 3434 3438 3442 3446 3450 3454 3458 3462 3466 3470
PLUMED:  3474 3478 3482 3486 3490 3494 3498 3502 3506 3510 3514 3518 3522 3526 3530 3534 3538 3542 3546 3550 3554 3558 3562 3566 3570
PLUMED:  3574 3578 3582 3586 3590 3594 3598 3602 3606 3610 3614 3618 3622 3626 3630 3634 3638 3642 3646 3650 3654 3658 3662 3666 3670
PLUMED:  3674 3678 3682 3686 3690 3694 3698 3702 3706 3710 3714 3718 3722 3726 3730 3734 3738 3742 3746 3750 3754 3758 3762 3766 3770
PLUMED:  3774 3778 3782 3786 3790 3794 3798 3802 3806 3810 3814 3818 3822 3826 3830 3834 3838 3842 3846 3850 3854 3858 3862 3866 3870
PLUMED:  3874 3878 3882 3886 3890 3894 3898 3902 3906 3910 3914 3918 3922 3926 3930 3934 3938 3942 3946 3950 3954 3958 3962 3966 3970
PLUMED:  3974 3978 3982 3986 3990 3994 3998 4002 4006 4010 4014 4018 4022 4026 4030 4034 4038 4042 4046 4050 4054 4058 4062 4066 4070
PLUMED:  4074 4078 4082 4086 4090 4094 4098 4102 4106 4110 4114 4118 4122 4126 4130 4134 4138 4142 4146 4150 4154 4158 4162 4166 4170
PLUMED:  4174 4178 4182 4186 4190 4194 4198 4202 4206 4210 4214 4218 4222 4226 4230 4234 4238 4242 4246 4250 4254 4258 4262 4266 4270
PLUMED:  4274 4278 4282 4286 4290 4294 4298 4302 4306 4310 4314 4318 4322 4326 4330 4334 4338 4342 4346 4350 4354 4358 4362 4366 4370
PLUMED:  4374 4378 4382 4386 4390 4394 4398 4402 4406 4410 4414 4418 4422 4426 4430 4434 4438 4442 4446 4450 4454 4458 4462 4466 4470
PLUMED:  4474 4478 4482 4486 4490 4494 4498 4502 4506 4510 4514 4518 4522 4526 4530 4534 4538 4542 4546 4550 4554 4558 4562 4566 4570
PLUMED:  4574 4578 4582 4586 4590 4594 4598 4602 4606 4610 4614 4618 4622 4626 4630 4634 4638 4642 4646 4650 4654 4658 4662 4666 4670
PLUMED:  4674 4678 4682 4686 4690 4694 4698 4702 4706 4710 4714 4718 4722 4726 4730 4734 4738 4742 4746 4750 4754 4758 4762 4766 4770
PLUMED:  4774 4778 4782 4786 4790 4794 4798 4802 4806 4810 4814 4818 4822 4826 4830 4834 4838 4842 4846 4850 4854 4858 4862 4866 4870
PLUMED:  4874 4878 4882 4886 4890 4894 4898 4902 4906 4910 4914 4918 4922 4926 4930 4934 4938 4942 4946 4950 4954 4958 4962 4966 4970
PLUMED:  4974 4978 4982 4986 4990 4994 4998 5002 5006 5010 5014 5018 5022 5026 5030 5034 5038 5042 5046 5050 5054 5058 5062 5066 5070
PLUMED:  5074 5078 5082 5086 5090 5094 5098 5102 5106 5110 5114 5118 5122 5126 5130 5134 5138 5142 5146 5150 5154 5158 5162 5166 5170
PLUMED:  5174 5178 5182 5186 5190 5194 5198 5202 5206 5210 5214 5218 5222 5226 5230 5234 5238 5242 5246 5250 5254 5258 5262 5266 5270
PLUMED:  5274 5278 5282 5286 5290 5294 5298 5302 5306 5310 5314 5318 5322 5326 5330 5334 5338 5342 5346 5350 5354 5358 5362 5366 5370
PLUMED:  5374 5378 5382 5386 5390 5394 5398 5402 5406 5410 5414 5418 5422 5426 5430 5434 5438 5442 5446 5450 5454 5458 5462 5466 5470
PLUMED:  5474 5478 5482 5486 5490 5494 5498 5502 5506 5510 5514 5518 5522 5526 5530 5534 5538 5542 5546 5550 5554 5558 5562 5566 5570
PLUMED:  5574 5578 5582 5586 5590 5594 5598 5602 5606 5610 5614 5618 5622 5626 5630 5634 5638 5642 5646 5650 5654 5658 5662 5666 5670
PLUMED:  5674 5678 5682 5686 5690 5694 5698 5702 5706 5710 5714 5718 5722 5726 5730 5734 5738 5742 5746 5750 5754 5758 5762 5766 5770
PLUMED:  5774 5778 5782 5786 5790 5794 5798 5802 5806 5810 5814 5818 5822 5826 5830 5834 5838 5842 5846 5850 5854 5858 5862 5866 5870
PLUMED:  5874 5878 5882 5886 5890 5894 5898 5902 5906 5910 5914 5918 5922 5926 5930 5934 5938 5942 5946 5950 5954 5958 5962 5966 5970
PLUMED:  5974 5978 5982 5986 5990 5994 5998 6002 6006 6010 6014 6018 6022 6026 6030 6034 6038 6042 6046 6050 6054 6058 6062 6066 6070
PLUMED:  6074 6078 6082 6086 6090 6094 6098 6102 6106 6110 6114 6118 6122 6126 6130 6134 6138 6142 6146 6150 6154 6158 6162 6166 6170
PLUMED:  6174 6178 6182 6186 6190 6194 6198 6202 6206 6210 6214 6218 6222 6226 6230 6234 6238 6242 6246 6250 6254 6258 6262 6266 6270
PLUMED:  6274 6278 6282 6286 6290 6294 6298 6302 6306 6310 6314 6318 6322 6326 6330 6334 6338 6342 6346 6350 6354 6358 6362 6366 6370
PLUMED:  6374 6378 6382 6386 6390 6394 6398 6402 6406 6410 6414 6418 6422 6426 275 279 283 287 291 295 299 303 307 311 315
PLUMED:  319 323 327 331 335 339 343 347 351 355 359 363 367 371 375 379 383 387 391 395 399 403 407 411 415
PLUMED:  419 423 427 431 435 439 443 447 451 455 459 463 467 471 475 479 483 487 491 495 499 503 507 511 515
PLUMED:  519 523 527 531 535 539 543 547 551 555 559 563 567 571 575 579 583 587 591 595 599 603 607 611 615
PLUMED:  619 623 627 631 635 639 643 647 651 655 659 663 667 671 675 679 683 687 691 695 699 703 707 711 715
PLUMED:  719 723 727 731 735 739 743 747 751 755 759 763 767 771 775 779 783 787 791 795 799 803 807 811 815
PLUMED:  819 823 827 831 835 839 843 847 851 855 859 863 867 871 875 879 883 887 891 895 899 903 907 911 915
PLUMED:  919 923 927 931 935 939 943 947 951 955 959 963 967 971 975 979 983 987 991 995 999 1003 1007 1011 1015
PLUMED:  1019 1023 1027 1031 1035 1039 1043 1047 1051 1055 1059 1063 1067 1071 1075 1079 1083 1087 1091 1095 1099 1103 1107 1111 1115
PLUMED:  1119 1123 1127 1131 1135 1139 1143 1147 1151 1155 1159 1163 1167 1171 1175 1179 1183 1187 1191 1195 1199 1203 1207 1211 1215
PLUMED:  1219 1223 1227 1231 1235 1239 1243 1247 1251 1255 1259 1263 1267 1271 1275 1279 1283 1287 1291 1295 1299 1303 1307 1311 1315
PLUMED:  1319 1323 1327 1331 1335 1339 1343 1347 1351 1355 1359 1363 1367 1371 1375 1379 1383 1387 1391 1395 1399 1403 1407 1411 1415
PLUMED:  1419 1423 1427 1431 1435 1439 1443 1447 1451 1455 1459 1463 1467 1471 1475 1479 1483 1487 1491 1495 1499 1503 1507 1511 1515
PLUMED:  1519 1523 1527 1531 1535 1539 1543 1547 1551 1555 1559 1563 1567 1571 1575 1579 1583 1587 1591 1595 1599 1603 1607 1611 1615
PLUMED:  1619 1623 1627 1631 1635 1639 1643 1647 1651 1655 1659 1663 1667 1671 1675 1679 1683 1687 1691 1695 1699 1703 1707 1711 1715
PLUMED:  1719 1723 1727 1731 1735 1739 1743 1747 1751 1755 1759 1763 1767 1771 1775 1779 1783 1787 1791 1795 1799 1803 1807 1811 1815
PLUMED:  1819 1823 1827 1831 1835 1839 1843 1847 1851 1855 1859 1863 1867 1871 1875 1879 1883 1887 1891 1895 1899 1903 1907 1911 1915
PLUMED:  1919 1923 1927 1931 1935 1939 1943 1947 1951 1955 1959 1963 1967 1971 1975 1979 1983 1987 1991 1995 1999 2003 2007 2011 2015
PLUMED:  2019 2023 2027 2031 2035 2039 2043 2047 2051 2055 2059 2063 2067 2071 2075 2079 2083 2087 2091 2095 2099 2103 2107 2111 2115
PLUMED:  2119 2123 2127 2131 2135 2139 2143 2147 2151 2155 2159 2163 2167 2171 2175 2179 2183 2187 2191 2195 2199 2203 2207 2211 2215
PLUMED:  2219 2223 2227 2231 2235 2239 2243 2247 2251 2255 2259 2263 2267 2271 2275 2279 2283 2287 2291 2295 2299 2303 2307 2311 2315
PLUMED:  2319 2323 2327 2331 2335 2339 2343 2347 2351 2355 2359 2363 2367 2371 2375 2379 2383 2387 2391 2395 2399 2403 2407 2411 2415
PLUMED:  2419 2423 2427 2431 2435 2439 2443 2447 2451 2455 2459 2463 2467 2471 2475 2479 2483 2487 2491 2495 2499 2503 2507 2511 2515
PLUMED:  2519 2523 2527 2531 2535 2539 2543 2547 2551 2555 2559 2563 2567 2571 2575 2579 2583 2587 2591 2595 2599 2603 2607 2611 2615
PLUMED:  2619 2623 2627 2631 2635 2639 2643 2647 2651 2655 2659 2663 2667 2671 2675 2679 2683 2687 2691 2695 2699 2703 2707 2711 2715
PLUMED:  2719 2723 2727 2731 2735 2739 2743 2747 2751 2755 2759 2763 2767 2771 2775 2779 2783 2787 2791 2795 2799 2803 2807 2811 2815
PLUMED:  2819 2823 2827 2831 2835 2839 2843 2847 2851 2855 2859 2863 2867 2871 2875 2879 2883 2887 2891 2895 2899 2903 2907 2911 2915
PLUMED:  2919 2923 2927 2931 2935 2939 2943 2947 2951 2955 2959 2963 2967 2971 2975 2979 2983 2987 2991 2995 2999 3003 3007 3011 3015
PLUMED:  3019 3023 3027 3031 3035 3039 3043 3047 3051 3055 3059 3063 3067 3071 3075 3079 3083 3087 3091 3095 3099 3103 3107 3111 3115
PLUMED:  3119 3123 3127 3131 3135 3139 3143 3147 3151 3155 3159 3163 3167 3171 3175 3179 3183 3187 3191 3195 3199 3203 3207 3211 3215
PLUMED:  3219 3223 3227 3231 3235 3239 3243 3247 3251 3255 3259 3263 3267 3271 3275 3279 3283 3287 3291 3295 3299 3303 3307 3311 3315
PLUMED:  3319 3323 3327 3331 3335 3339 3343 3347 3351 3355 3359 3363 3367 3371 3375 3379 3383 3387 3391 3395 3399 3403 3407 3411 3415
PLUMED:  3419 3423 3427 3431 3435 3439 3443 3447 3451 3455 3459 3463 3467 3471 3475 3479 3483 3487 3491 3495 3499 3503 3507 3511 3515
PLUMED:  3519 3523 3527 3531 3535 3539 3543 3547 3551 3555 3559 3563 3567 3571 3575 3579 3583 3587 3591 3595 3599 3603 3607 3611 3615
PLUMED:  3619 3623 3627 3631 3635 3639 3643 3647 3651 3655 3659 3663 3667 3671 3675 3679 3683 3687 3691 3695 3699 3703 3707 3711 3715
PLUMED:  3719 3723 3727 3731 3735 3739 3743 3747 3751 3755 3759 3763 3767 3771 3775 3779 3783 3787 3791 3795 3799 3803 3807 3811 3815
PLUMED:  3819 3823 3827 3831 3835 3839 3843 3847 3851 3855 3859 3863 3867 3871 3875 3879 3883 3887 3891 3895 3899 3903 3907 3911 3915
PLUMED:  3919 3923 3927 3931 3935 3939 3943 3947 3951 3955 3959 3963 3967 3971 3975 3979 3983 3987 3991 3995 3999 4003 4007 4011 4015
PLUMED:  4019 4023 4027 4031 4035 4039 4043 4047 4051 4055 4059 4063 4067 4071 4075 4079 4083 4087 4091 4095 4099 4103 4107 4111 4115
PLUMED:  4119 4123 4127 4131 4135 4139 4143 4147 4151 4155 4159 4163 4167 4171 4175 4179 4183 4187 4191 4195 4199 4203 4207 4211 4215
PLUMED:  4219 4223 4227 4231 4235 4239 4243 4247 4251 4255 4259 4263 4267 4271 4275 4279 4283 4287 4291 4295 4299 4303 4307 4311 4315
PLUMED:  4319 4323 4327 4331 4335 4339 4343 4347 4351 4355 4359 4363 4367 4371 4375 4379 4383 4387 4391 4395 4399 4403 4407 4411 4415
PLUMED:  4419 4423 4427 4431 4435 4439 4443 4447 4451 4455 4459 4463 4467 4471 4475 4479 4483 4487 4491 4495 4499 4503 4507 4511 4515
PLUMED:  4519 4523 4527 4531 4535 4539 4543 4547 4551 4555 4559 4563 4567 4571 4575 4579 4583 4587 4591 4595 4599 4603 4607 4611 4615
PLUMED:  4619 4623 4627 4631 4635 4639 4643 4647 4651 4655 4659 4663 4667 4671 4675 4679 4683 4687 4691 4695 4699 4703 4707 4711 4715
PLUMED:  4719 4723 4727 4731 4735 4739 4743 4747 4751 4755 4759 4763 4767 4771 4775 4779 4783 4787 4791 4795 4799 4803 4807 4811 4815
PLUMED:  4819 4823 4827 4831 4835 4839 4843 4847 4851 4855 4859 4863 4867 4871 4875 4879 4883 4887 4891 4895 4899 4903 4907 4911 4915
PLUMED:  4919 4923 4927 4931 4935 4939 4943 4947 4951 4955 4959 4963 4967 4971 4975 4979 4983 4987 4991 4995 4999 5003 5007 5011 5015
PLUMED:  5019 5023 5027 5031 5035 5039 5043 5047 5051 5055 5059 5063 5067 5071 5075 5079 5083 5087 5091 5095 5099 5103 5107 5111 5115
PLUMED:  5119 5123 5127 5131 5135 5139 5143 5147 5151 5155 5159 5163 5167 5171 5175 5179 5183 5187 5191 5195 5199 5203 5207 5211 5215
PLUMED:  5219 5223 5227 5231 5235 5239 5243 5247 5251 5255 5259 5263 5267 5271 5275 5279 5283 5287 5291 5295 5299 5303 5307 5311 5315
PLUMED:  5319 5323 5327 5331 5335 5339 5343 5347 5351 5355 5359 5363 5367 5371 5375 5379 5383 5387 5391 5395 5399 5403 5407 5411 5415
PLUMED:  5419 5423 5427 5431 5435 5439 5443 5447 5451 5455 5459 5463 5467 5471 5475 5479 5483 5487 5491 5495 5499 5503 5507 5511 5515
PLUMED:  5519 5523 5527 5531 5535 5539 5543 5547 5551 5555 5559 5563 5567 5571 5575 5579 5583 5587 5591 5595 5599 5603 5607 5611 5615
PLUMED:  5619 5623 5627 5631 5635 5639 5643 5647 5651 5655 5659 5663 5667 5671 5675 5679 5683 5687 5691 5695 5699 5703 5707 5711 5715
PLUMED:  5719 5723 5727 5731 5735 5739 5743 5747 5751 5755 5759 5763 5767 5771 5775 5779 5783 5787 5791 5795 5799 5803 5807 5811 5815
PLUMED:  5819 5823 5827 5831 5835 5839 5843 5847 5851 5855 5859 5863 5867 5871 5875 5879 5883 5887 5891 5895 5899 5903 5907 5911 5915
PLUMED:  5919 5923 5927 5931 5935 5939 5943 5947 5951 5955 5959 5963 5967 5971 5975 5979 5983 5987 5991 5995 5999 6003 6007 6011 6015
PLUMED:  6019 6023 6027 6031 6035 6039 6043 6047 6051 6055 6059 6063 6067 6071 6075 6079 6083 6087 6091 6095 6099 6103 6107 6111 6115
PLUMED:  6119 6123 6127 6131 6135 6139 6143 6147 6151 6155 6159 6163 6167 6171 6175 6179 6183 6187 6191 6195 6199 6203 6207 6211 6215
PLUMED:  6219 6223 6227 6231 6235 6239 6243 6247 6251 6255 6259 6263 6267 6271 6275 6279 6283 6287 6291 6295 6299 6303 6307 6311 6315
PLUMED:  6319 6323 6327 6331 6335 6339 6343 6347 6351 6355 6359 6363 6367 6371 6375 6379 6383 6387 6391 6395 6399 6403 6407 6411 6415
PLUMED:  6419 6423 6427
PLUMED: Action RMSD
PLUMED:   with label rmsd_ca
PLUMED: Action RMSD_SCALAR
PLUMED:   with label rmsd_ca
PLUMED:   reference from file foldedCA.pdb
PLUMED:   which contains 20 atoms
PLUMED:   with indices : 
PLUMED: 5 17 27 48 58 75 99 118 128 140 147 162 168 179 190 197 229 243 257 263 
PLUMED:   method for alignment : OPTIMAL 
PLUMED:   using periodic boundary conditions
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_98-O_45
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   98  
PLUMED:   second group:
PLUMED:   45  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-D_H_98-N_97
PLUMED:   between atoms 98 97
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_98-O_45
PLUMED:   between atoms 98 45
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_98-C_44
PLUMED:   between atoms 98 44
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_97-O_45
PLUMED:   between atoms 97 45
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label A-B_O_45-C_44
PLUMED:   between atoms 45 44
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_98-O_45
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_97-O_45 
PLUMED:    scalar with label H-D_H_98-N_97 
PLUMED:    scalar with label H-A_H_98-O_45 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_98-O_45
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_98-C_44 
PLUMED:    scalar with label H-A_H_98-O_45 
PLUMED:    scalar with label A-B_O_45-C_44 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_98-O_45
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_98-O_45 
PLUMED:    scalar with label ang_DHA_hbond_H_98-O_45 
PLUMED:    scalar with label ang_BAH_hbond_H_98-O_45 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_98-O_45
PLUMED:   added component to this action:  VA_H_98-O_45.x 
PLUMED:   added component to this action:  VA_H_98-O_45.y 
PLUMED:   added component to this action:  VA_H_98-O_45.z 
PLUMED:   added component to this action:  VA_H_98-O_45.mass 
PLUMED:   added component to this action:  VA_H_98-O_45.charge 
PLUMED:   of atoms 44 45 46
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_98-O_45
PLUMED:   added component to this action:  VH_H_98-O_45.x 
PLUMED:   added component to this action:  VH_H_98-O_45.y 
PLUMED:   added component to this action:  VH_H_98-O_45.z 
PLUMED:   added component to this action:  VH_H_98-O_45.mass 
PLUMED:   added component to this action:  VH_H_98-O_45.charge 
PLUMED:   of atoms 97 98 99
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_98-O_45
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100001  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_98-O_45
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100002  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_74-O_24
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   74  
PLUMED:   second group:
PLUMED:   24  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-D_H_74-N_73
PLUMED:   between atoms 74 73
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_74-O_24
PLUMED:   between atoms 74 24
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_74-C_23
PLUMED:   between atoms 74 23
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_73-O_24
PLUMED:   between atoms 73 24
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label A-B_O_24-C_23
PLUMED:   between atoms 24 23
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_74-O_24
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_73-O_24 
PLUMED:    scalar with label H-D_H_74-N_73 
PLUMED:    scalar with label H-A_H_74-O_24 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_74-O_24
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_74-C_23 
PLUMED:    scalar with label H-A_H_74-O_24 
PLUMED:    scalar with label A-B_O_24-C_23 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_74-O_24
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_74-O_24 
PLUMED:    scalar with label ang_DHA_hbond_H_74-O_24 
PLUMED:    scalar with label ang_BAH_hbond_H_74-O_24 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_74-O_24
PLUMED:   added component to this action:  VA_H_74-O_24.x 
PLUMED:   added component to this action:  VA_H_74-O_24.y 
PLUMED:   added component to this action:  VA_H_74-O_24.z 
PLUMED:   added component to this action:  VA_H_74-O_24.mass 
PLUMED:   added component to this action:  VA_H_74-O_24.charge 
PLUMED:   of atoms 23 24 25
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_74-O_24
PLUMED:   added component to this action:  VH_H_74-O_24.x 
PLUMED:   added component to this action:  VH_H_74-O_24.y 
PLUMED:   added component to this action:  VH_H_74-O_24.z 
PLUMED:   added component to this action:  VH_H_74-O_24.mass 
PLUMED:   added component to this action:  VH_H_74-O_24.charge 
PLUMED:   of atoms 73 74 75
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_74-O_24
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100003  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_74-O_24
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100004  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_57-O_14
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   57  
PLUMED:   second group:
PLUMED:   14  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-D_H_57-N_56
PLUMED:   between atoms 57 56
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_57-O_14
PLUMED:   between atoms 57 14
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_57-C_13
PLUMED:   between atoms 57 13
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_56-O_14
PLUMED:   between atoms 56 14
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label A-B_O_14-C_13
PLUMED:   between atoms 14 13
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_57-O_14
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_56-O_14 
PLUMED:    scalar with label H-D_H_57-N_56 
PLUMED:    scalar with label H-A_H_57-O_14 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_57-O_14
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_57-C_13 
PLUMED:    scalar with label H-A_H_57-O_14 
PLUMED:    scalar with label A-B_O_14-C_13 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_57-O_14
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_57-O_14 
PLUMED:    scalar with label ang_DHA_hbond_H_57-O_14 
PLUMED:    scalar with label ang_BAH_hbond_H_57-O_14 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_57-O_14
PLUMED:   added component to this action:  VA_H_57-O_14.x 
PLUMED:   added component to this action:  VA_H_57-O_14.y 
PLUMED:   added component to this action:  VA_H_57-O_14.z 
PLUMED:   added component to this action:  VA_H_57-O_14.mass 
PLUMED:   added component to this action:  VA_H_57-O_14.charge 
PLUMED:   of atoms 13 14 15
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_57-O_14
PLUMED:   added component to this action:  VH_H_57-O_14.x 
PLUMED:   added component to this action:  VH_H_57-O_14.y 
PLUMED:   added component to this action:  VH_H_57-O_14.z 
PLUMED:   added component to this action:  VH_H_57-O_14.mass 
PLUMED:   added component to this action:  VH_H_57-O_14.charge 
PLUMED:   of atoms 56 57 58
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_57-O_14
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100005  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_57-O_14
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100006  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_117-O_55
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   117  
PLUMED:   second group:
PLUMED:   55  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-D_H_117-N_116
PLUMED:   between atoms 117 116
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_117-O_55
PLUMED:   between atoms 117 55
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_117-C_54
PLUMED:   between atoms 117 54
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_116-O_55
PLUMED:   between atoms 116 55
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label A-B_O_55-C_54
PLUMED:   between atoms 55 54
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_117-O_55
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_116-O_55 
PLUMED:    scalar with label H-D_H_117-N_116 
PLUMED:    scalar with label H-A_H_117-O_55 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_117-O_55
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_117-C_54 
PLUMED:    scalar with label H-A_H_117-O_55 
PLUMED:    scalar with label A-B_O_55-C_54 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_117-O_55
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_117-O_55 
PLUMED:    scalar with label ang_DHA_hbond_H_117-O_55 
PLUMED:    scalar with label ang_BAH_hbond_H_117-O_55 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_117-O_55
PLUMED:   added component to this action:  VA_H_117-O_55.x 
PLUMED:   added component to this action:  VA_H_117-O_55.y 
PLUMED:   added component to this action:  VA_H_117-O_55.z 
PLUMED:   added component to this action:  VA_H_117-O_55.mass 
PLUMED:   added component to this action:  VA_H_117-O_55.charge 
PLUMED:   of atoms 54 55 56
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_117-O_55
PLUMED:   added component to this action:  VH_H_117-O_55.x 
PLUMED:   added component to this action:  VH_H_117-O_55.y 
PLUMED:   added component to this action:  VH_H_117-O_55.z 
PLUMED:   added component to this action:  VH_H_117-O_55.mass 
PLUMED:   added component to this action:  VH_H_117-O_55.charge 
PLUMED:   of atoms 116 117 118
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_117-O_55
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100007  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_117-O_55
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100008  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_HE1_84-O_218
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   84  
PLUMED:   second group:
PLUMED:   218  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-D_HE1_84-NE1_83
PLUMED:   between atoms 84 83
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-A_HE1_84-O_218
PLUMED:   between atoms 84 218
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_HE1_84-C_217
PLUMED:   between atoms 84 217
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_NE1_83-O_218
PLUMED:   between atoms 83 218
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label A-B_O_218-C_217
PLUMED:   between atoms 218 217
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_HE1_84-O_218
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_NE1_83-O_218 
PLUMED:    scalar with label H-D_HE1_84-NE1_83 
PLUMED:    scalar with label H-A_HE1_84-O_218 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_HE1_84-O_218
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_HE1_84-C_217 
PLUMED:    scalar with label H-A_HE1_84-O_218 
PLUMED:    scalar with label A-B_O_218-C_217 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_HE1_84-O_218
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_HE1_84-O_218 
PLUMED:    scalar with label ang_DHA_hbond_HE1_84-O_218 
PLUMED:    scalar with label ang_BAH_hbond_HE1_84-O_218 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_HE1_84-O_218
PLUMED:   added component to this action:  VA_HE1_84-O_218.x 
PLUMED:   added component to this action:  VA_HE1_84-O_218.y 
PLUMED:   added component to this action:  VA_HE1_84-O_218.z 
PLUMED:   added component to this action:  VA_HE1_84-O_218.mass 
PLUMED:   added component to this action:  VA_HE1_84-O_218.charge 
PLUMED:   of atoms 217 218 219
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_HE1_84-O_218
PLUMED:   added component to this action:  VH_HE1_84-O_218.x 
PLUMED:   added component to this action:  VH_HE1_84-O_218.y 
PLUMED:   added component to this action:  VH_HE1_84-O_218.z 
PLUMED:   added component to this action:  VH_HE1_84-O_218.mass 
PLUMED:   added component to this action:  VH_HE1_84-O_218.charge 
PLUMED:   of atoms 83 84 85
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_HE1_84-O_218
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100009  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_HE1_84-O_218
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100010  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_146-O_96
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   146  
PLUMED:   second group:
PLUMED:   96  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-D_H_146-N_145
PLUMED:   between atoms 146 145
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_146-O_96
PLUMED:   between atoms 146 96
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_146-C_95
PLUMED:   between atoms 146 95
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_145-O_96
PLUMED:   between atoms 145 96
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label A-B_O_96-C_95
PLUMED:   between atoms 96 95
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_146-O_96
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_145-O_96 
PLUMED:    scalar with label H-D_H_146-N_145 
PLUMED:    scalar with label H-A_H_146-O_96 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_146-O_96
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_146-C_95 
PLUMED:    scalar with label H-A_H_146-O_96 
PLUMED:    scalar with label A-B_O_96-C_95 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_146-O_96
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_146-O_96 
PLUMED:    scalar with label ang_DHA_hbond_H_146-O_96 
PLUMED:    scalar with label ang_BAH_hbond_H_146-O_96 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_146-O_96
PLUMED:   added component to this action:  VA_H_146-O_96.x 
PLUMED:   added component to this action:  VA_H_146-O_96.y 
PLUMED:   added component to this action:  VA_H_146-O_96.z 
PLUMED:   added component to this action:  VA_H_146-O_96.mass 
PLUMED:   added component to this action:  VA_H_146-O_96.charge 
PLUMED:   of atoms 95 96 97
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_146-O_96
PLUMED:   added component to this action:  VH_H_146-O_96.x 
PLUMED:   added component to this action:  VH_H_146-O_96.y 
PLUMED:   added component to this action:  VH_H_146-O_96.z 
PLUMED:   added component to this action:  VH_H_146-O_96.mass 
PLUMED:   added component to this action:  VH_H_146-O_96.charge 
PLUMED:   of atoms 145 146 147
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_146-O_96
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100011  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_146-O_96
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100012  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_127-O_72
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   127  
PLUMED:   second group:
PLUMED:   72  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-D_H_127-N_126
PLUMED:   between atoms 127 126
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_127-O_72
PLUMED:   between atoms 127 72
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_127-C_71
PLUMED:   between atoms 127 71
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_126-O_72
PLUMED:   between atoms 126 72
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label A-B_O_72-C_71
PLUMED:   between atoms 72 71
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_127-O_72
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_126-O_72 
PLUMED:    scalar with label H-D_H_127-N_126 
PLUMED:    scalar with label H-A_H_127-O_72 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_127-O_72
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_127-C_71 
PLUMED:    scalar with label H-A_H_127-O_72 
PLUMED:    scalar with label A-B_O_72-C_71 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_127-O_72
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_127-O_72 
PLUMED:    scalar with label ang_DHA_hbond_H_127-O_72 
PLUMED:    scalar with label ang_BAH_hbond_H_127-O_72 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_127-O_72
PLUMED:   added component to this action:  VA_H_127-O_72.x 
PLUMED:   added component to this action:  VA_H_127-O_72.y 
PLUMED:   added component to this action:  VA_H_127-O_72.z 
PLUMED:   added component to this action:  VA_H_127-O_72.mass 
PLUMED:   added component to this action:  VA_H_127-O_72.charge 
PLUMED:   of atoms 71 72 73
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_127-O_72
PLUMED:   added component to this action:  VH_H_127-O_72.x 
PLUMED:   added component to this action:  VH_H_127-O_72.y 
PLUMED:   added component to this action:  VH_H_127-O_72.z 
PLUMED:   added component to this action:  VH_H_127-O_72.mass 
PLUMED:   added component to this action:  VH_H_127-O_72.charge 
PLUMED:   of atoms 126 127 128
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_127-O_72
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100013  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_127-O_72
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100014  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_167-O_144
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   167  
PLUMED:   second group:
PLUMED:   144  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-D_H_167-N_166
PLUMED:   between atoms 167 166
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_167-O_144
PLUMED:   between atoms 167 144
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_167-C_143
PLUMED:   between atoms 167 143
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_166-O_144
PLUMED:   between atoms 166 144
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label A-B_O_144-C_143
PLUMED:   between atoms 144 143
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_167-O_144
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_166-O_144 
PLUMED:    scalar with label H-D_H_167-N_166 
PLUMED:    scalar with label H-A_H_167-O_144 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_167-O_144
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_167-C_143 
PLUMED:    scalar with label H-A_H_167-O_144 
PLUMED:    scalar with label A-B_O_144-C_143 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_167-O_144
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_167-O_144 
PLUMED:    scalar with label ang_DHA_hbond_H_167-O_144 
PLUMED:    scalar with label ang_BAH_hbond_H_167-O_144 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_167-O_144
PLUMED:   added component to this action:  VA_H_167-O_144.x 
PLUMED:   added component to this action:  VA_H_167-O_144.y 
PLUMED:   added component to this action:  VA_H_167-O_144.z 
PLUMED:   added component to this action:  VA_H_167-O_144.mass 
PLUMED:   added component to this action:  VA_H_167-O_144.charge 
PLUMED:   of atoms 143 144 145
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_167-O_144
PLUMED:   added component to this action:  VH_H_167-O_144.x 
PLUMED:   added component to this action:  VH_H_167-O_144.y 
PLUMED:   added component to this action:  VH_H_167-O_144.z 
PLUMED:   added component to this action:  VH_H_167-O_144.mass 
PLUMED:   added component to this action:  VH_H_167-O_144.charge 
PLUMED:   of atoms 166 167 168
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_167-O_144
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100015  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_167-O_144
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100016  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_139-O_115
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   139  
PLUMED:   second group:
PLUMED:   115  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-D_H_139-N_138
PLUMED:   between atoms 139 138
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_139-O_115
PLUMED:   between atoms 139 115
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_139-C_114
PLUMED:   between atoms 139 114
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_138-O_115
PLUMED:   between atoms 138 115
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label A-B_O_115-C_114
PLUMED:   between atoms 115 114
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_139-O_115
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_138-O_115 
PLUMED:    scalar with label H-D_H_139-N_138 
PLUMED:    scalar with label H-A_H_139-O_115 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_139-O_115
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_139-C_114 
PLUMED:    scalar with label H-A_H_139-O_115 
PLUMED:    scalar with label A-B_O_115-C_114 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_139-O_115
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_139-O_115 
PLUMED:    scalar with label ang_DHA_hbond_H_139-O_115 
PLUMED:    scalar with label ang_BAH_hbond_H_139-O_115 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_139-O_115
PLUMED:   added component to this action:  VA_H_139-O_115.x 
PLUMED:   added component to this action:  VA_H_139-O_115.y 
PLUMED:   added component to this action:  VA_H_139-O_115.z 
PLUMED:   added component to this action:  VA_H_139-O_115.mass 
PLUMED:   added component to this action:  VA_H_139-O_115.charge 
PLUMED:   of atoms 114 115 116
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_139-O_115
PLUMED:   added component to this action:  VH_H_139-O_115.x 
PLUMED:   added component to this action:  VH_H_139-O_115.y 
PLUMED:   added component to this action:  VH_H_139-O_115.z 
PLUMED:   added component to this action:  VH_H_139-O_115.mass 
PLUMED:   added component to this action:  VH_H_139-O_115.charge 
PLUMED:   of atoms 138 139 140
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_139-O_115
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100017  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_139-O_115
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100018  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_74-O_45
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   74  
PLUMED:   second group:
PLUMED:   45  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_74-O_45
PLUMED:   between atoms 74 45
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_74-C_44
PLUMED:   between atoms 74 44
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_73-O_45
PLUMED:   between atoms 73 45
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_74-O_45
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_73-O_45 
PLUMED:    scalar with label H-D_H_74-N_73 
PLUMED:    scalar with label H-A_H_74-O_45 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_74-O_45
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_74-C_44 
PLUMED:    scalar with label H-A_H_74-O_45 
PLUMED:    scalar with label A-B_O_45-C_44 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_74-O_45
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_74-O_45 
PLUMED:    scalar with label ang_DHA_hbond_H_74-O_45 
PLUMED:    scalar with label ang_BAH_hbond_H_74-O_45 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_74-O_45
PLUMED:   added component to this action:  VA_H_74-O_45.x 
PLUMED:   added component to this action:  VA_H_74-O_45.y 
PLUMED:   added component to this action:  VA_H_74-O_45.z 
PLUMED:   added component to this action:  VA_H_74-O_45.mass 
PLUMED:   added component to this action:  VA_H_74-O_45.charge 
PLUMED:   of atoms 44 45 46
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_74-O_45
PLUMED:   added component to this action:  VH_H_74-O_45.x 
PLUMED:   added component to this action:  VH_H_74-O_45.y 
PLUMED:   added component to this action:  VH_H_74-O_45.z 
PLUMED:   added component to this action:  VH_H_74-O_45.mass 
PLUMED:   added component to this action:  VH_H_74-O_45.charge 
PLUMED:   of atoms 73 74 75
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_74-O_45
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100019  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_74-O_45
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100020  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_HE1_84-O_232
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   84  
PLUMED:   second group:
PLUMED:   232  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-A_HE1_84-O_232
PLUMED:   between atoms 84 232
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_HE1_84-C_231
PLUMED:   between atoms 84 231
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_NE1_83-O_232
PLUMED:   between atoms 83 232
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label A-B_O_232-C_231
PLUMED:   between atoms 232 231
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_HE1_84-O_232
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_NE1_83-O_232 
PLUMED:    scalar with label H-D_HE1_84-NE1_83 
PLUMED:    scalar with label H-A_HE1_84-O_232 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_HE1_84-O_232
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_HE1_84-C_231 
PLUMED:    scalar with label H-A_HE1_84-O_232 
PLUMED:    scalar with label A-B_O_232-C_231 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_HE1_84-O_232
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_HE1_84-O_232 
PLUMED:    scalar with label ang_DHA_hbond_HE1_84-O_232 
PLUMED:    scalar with label ang_BAH_hbond_HE1_84-O_232 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_HE1_84-O_232
PLUMED:   added component to this action:  VA_HE1_84-O_232.x 
PLUMED:   added component to this action:  VA_HE1_84-O_232.y 
PLUMED:   added component to this action:  VA_HE1_84-O_232.z 
PLUMED:   added component to this action:  VA_HE1_84-O_232.mass 
PLUMED:   added component to this action:  VA_HE1_84-O_232.charge 
PLUMED:   of atoms 231 232 233
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_HE1_84-O_232
PLUMED:   added component to this action:  VH_HE1_84-O_232.x 
PLUMED:   added component to this action:  VH_HE1_84-O_232.y 
PLUMED:   added component to this action:  VH_HE1_84-O_232.z 
PLUMED:   added component to this action:  VH_HE1_84-O_232.mass 
PLUMED:   added component to this action:  VH_HE1_84-O_232.charge 
PLUMED:   of atoms 83 84 85
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_HE1_84-O_232
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100021  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_HE1_84-O_232
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100022  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_57-O_24
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   57  
PLUMED:   second group:
PLUMED:   24  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_57-O_24
PLUMED:   between atoms 57 24
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_57-C_23
PLUMED:   between atoms 57 23
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_56-O_24
PLUMED:   between atoms 56 24
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_57-O_24
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_56-O_24 
PLUMED:    scalar with label H-D_H_57-N_56 
PLUMED:    scalar with label H-A_H_57-O_24 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_57-O_24
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_57-C_23 
PLUMED:    scalar with label H-A_H_57-O_24 
PLUMED:    scalar with label A-B_O_24-C_23 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_57-O_24
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_57-O_24 
PLUMED:    scalar with label ang_DHA_hbond_H_57-O_24 
PLUMED:    scalar with label ang_BAH_hbond_H_57-O_24 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_57-O_24
PLUMED:   added component to this action:  VA_H_57-O_24.x 
PLUMED:   added component to this action:  VA_H_57-O_24.y 
PLUMED:   added component to this action:  VA_H_57-O_24.z 
PLUMED:   added component to this action:  VA_H_57-O_24.mass 
PLUMED:   added component to this action:  VA_H_57-O_24.charge 
PLUMED:   of atoms 23 24 25
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_57-O_24
PLUMED:   added component to this action:  VH_H_57-O_24.x 
PLUMED:   added component to this action:  VH_H_57-O_24.y 
PLUMED:   added component to this action:  VH_H_57-O_24.z 
PLUMED:   added component to this action:  VH_H_57-O_24.mass 
PLUMED:   added component to this action:  VH_H_57-O_24.charge 
PLUMED:   of atoms 56 57 58
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_57-O_24
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100023  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_57-O_24
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100024  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_98-O_55
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   98  
PLUMED:   second group:
PLUMED:   55  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_98-O_55
PLUMED:   between atoms 98 55
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_98-C_54
PLUMED:   between atoms 98 54
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_97-O_55
PLUMED:   between atoms 97 55
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_98-O_55
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_97-O_55 
PLUMED:    scalar with label H-D_H_98-N_97 
PLUMED:    scalar with label H-A_H_98-O_55 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_98-O_55
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_98-C_54 
PLUMED:    scalar with label H-A_H_98-O_55 
PLUMED:    scalar with label A-B_O_55-C_54 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_98-O_55
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_98-O_55 
PLUMED:    scalar with label ang_DHA_hbond_H_98-O_55 
PLUMED:    scalar with label ang_BAH_hbond_H_98-O_55 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_98-O_55
PLUMED:   added component to this action:  VA_H_98-O_55.x 
PLUMED:   added component to this action:  VA_H_98-O_55.y 
PLUMED:   added component to this action:  VA_H_98-O_55.z 
PLUMED:   added component to this action:  VA_H_98-O_55.mass 
PLUMED:   added component to this action:  VA_H_98-O_55.charge 
PLUMED:   of atoms 54 55 56
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_98-O_55
PLUMED:   added component to this action:  VH_H_98-O_55.x 
PLUMED:   added component to this action:  VH_H_98-O_55.y 
PLUMED:   added component to this action:  VH_H_98-O_55.z 
PLUMED:   added component to this action:  VH_H_98-O_55.mass 
PLUMED:   added component to this action:  VH_H_98-O_55.charge 
PLUMED:   of atoms 97 98 99
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_98-O_55
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100025  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_98-O_55
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100026  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_47-O_14
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   47  
PLUMED:   second group:
PLUMED:   14  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-D_H_47-N_46
PLUMED:   between atoms 47 46
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_47-O_14
PLUMED:   between atoms 47 14
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_47-C_13
PLUMED:   between atoms 47 13
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_46-O_14
PLUMED:   between atoms 46 14
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_47-O_14
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_46-O_14 
PLUMED:    scalar with label H-D_H_47-N_46 
PLUMED:    scalar with label H-A_H_47-O_14 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_47-O_14
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_47-C_13 
PLUMED:    scalar with label H-A_H_47-O_14 
PLUMED:    scalar with label A-B_O_14-C_13 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_47-O_14
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_47-O_14 
PLUMED:    scalar with label ang_DHA_hbond_H_47-O_14 
PLUMED:    scalar with label ang_BAH_hbond_H_47-O_14 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_47-O_14
PLUMED:   added component to this action:  VA_H_47-O_14.x 
PLUMED:   added component to this action:  VA_H_47-O_14.y 
PLUMED:   added component to this action:  VA_H_47-O_14.z 
PLUMED:   added component to this action:  VA_H_47-O_14.mass 
PLUMED:   added component to this action:  VA_H_47-O_14.charge 
PLUMED:   of atoms 13 14 15
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_47-O_14
PLUMED:   added component to this action:  VH_H_47-O_14.x 
PLUMED:   added component to this action:  VH_H_47-O_14.y 
PLUMED:   added component to this action:  VH_H_47-O_14.z 
PLUMED:   added component to this action:  VH_H_47-O_14.mass 
PLUMED:   added component to this action:  VH_H_47-O_14.charge 
PLUMED:   of atoms 46 47 48
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_47-O_14
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100027  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_47-O_14
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100028  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_127-O_96
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   127  
PLUMED:   second group:
PLUMED:   96  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_127-O_96
PLUMED:   between atoms 127 96
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_127-C_95
PLUMED:   between atoms 127 95
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_126-O_96
PLUMED:   between atoms 126 96
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_127-O_96
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_126-O_96 
PLUMED:    scalar with label H-D_H_127-N_126 
PLUMED:    scalar with label H-A_H_127-O_96 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_127-O_96
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_127-C_95 
PLUMED:    scalar with label H-A_H_127-O_96 
PLUMED:    scalar with label A-B_O_96-C_95 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_127-O_96
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_127-O_96 
PLUMED:    scalar with label ang_DHA_hbond_H_127-O_96 
PLUMED:    scalar with label ang_BAH_hbond_H_127-O_96 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_127-O_96
PLUMED:   added component to this action:  VA_H_127-O_96.x 
PLUMED:   added component to this action:  VA_H_127-O_96.y 
PLUMED:   added component to this action:  VA_H_127-O_96.z 
PLUMED:   added component to this action:  VA_H_127-O_96.mass 
PLUMED:   added component to this action:  VA_H_127-O_96.charge 
PLUMED:   of atoms 95 96 97
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_127-O_96
PLUMED:   added component to this action:  VH_H_127-O_96.x 
PLUMED:   added component to this action:  VH_H_127-O_96.y 
PLUMED:   added component to this action:  VH_H_127-O_96.z 
PLUMED:   added component to this action:  VH_H_127-O_96.mass 
PLUMED:   added component to this action:  VH_H_127-O_96.charge 
PLUMED:   of atoms 126 127 128
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_127-O_96
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100029  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_127-O_96
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100030  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_117-O_72
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   117  
PLUMED:   second group:
PLUMED:   72  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_117-O_72
PLUMED:   between atoms 117 72
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_117-C_71
PLUMED:   between atoms 117 71
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_116-O_72
PLUMED:   between atoms 116 72
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_117-O_72
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_116-O_72 
PLUMED:    scalar with label H-D_H_117-N_116 
PLUMED:    scalar with label H-A_H_117-O_72 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_117-O_72
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_117-C_71 
PLUMED:    scalar with label H-A_H_117-O_72 
PLUMED:    scalar with label A-B_O_72-C_71 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_117-O_72
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_117-O_72 
PLUMED:    scalar with label ang_DHA_hbond_H_117-O_72 
PLUMED:    scalar with label ang_BAH_hbond_H_117-O_72 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_117-O_72
PLUMED:   added component to this action:  VA_H_117-O_72.x 
PLUMED:   added component to this action:  VA_H_117-O_72.y 
PLUMED:   added component to this action:  VA_H_117-O_72.z 
PLUMED:   added component to this action:  VA_H_117-O_72.mass 
PLUMED:   added component to this action:  VA_H_117-O_72.charge 
PLUMED:   of atoms 71 72 73
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_117-O_72
PLUMED:   added component to this action:  VH_H_117-O_72.x 
PLUMED:   added component to this action:  VH_H_117-O_72.y 
PLUMED:   added component to this action:  VH_H_117-O_72.z 
PLUMED:   added component to this action:  VH_H_117-O_72.mass 
PLUMED:   added component to this action:  VH_H_117-O_72.charge 
PLUMED:   of atoms 116 117 118
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_117-O_72
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100031  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_117-O_72
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100032  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_139-O_96
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   139  
PLUMED:   second group:
PLUMED:   96  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_139-O_96
PLUMED:   between atoms 139 96
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_139-C_95
PLUMED:   between atoms 139 95
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_138-O_96
PLUMED:   between atoms 138 96
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_139-O_96
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_138-O_96 
PLUMED:    scalar with label H-D_H_139-N_138 
PLUMED:    scalar with label H-A_H_139-O_96 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_139-O_96
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_139-C_95 
PLUMED:    scalar with label H-A_H_139-O_96 
PLUMED:    scalar with label A-B_O_96-C_95 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_139-O_96
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_139-O_96 
PLUMED:    scalar with label ang_DHA_hbond_H_139-O_96 
PLUMED:    scalar with label ang_BAH_hbond_H_139-O_96 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_139-O_96
PLUMED:   added component to this action:  VA_H_139-O_96.x 
PLUMED:   added component to this action:  VA_H_139-O_96.y 
PLUMED:   added component to this action:  VA_H_139-O_96.z 
PLUMED:   added component to this action:  VA_H_139-O_96.mass 
PLUMED:   added component to this action:  VA_H_139-O_96.charge 
PLUMED:   of atoms 95 96 97
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_139-O_96
PLUMED:   added component to this action:  VH_H_139-O_96.x 
PLUMED:   added component to this action:  VH_H_139-O_96.y 
PLUMED:   added component to this action:  VH_H_139-O_96.z 
PLUMED:   added component to this action:  VH_H_139-O_96.mass 
PLUMED:   added component to this action:  VH_H_139-O_96.charge 
PLUMED:   of atoms 138 139 140
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_139-O_96
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100033  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_139-O_96
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100034  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_178-O_144
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   178  
PLUMED:   second group:
PLUMED:   144  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-D_H_178-N_177
PLUMED:   between atoms 178 177
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_178-O_144
PLUMED:   between atoms 178 144
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_178-C_143
PLUMED:   between atoms 178 143
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_177-O_144
PLUMED:   between atoms 177 144
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_178-O_144
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_177-O_144 
PLUMED:    scalar with label H-D_H_178-N_177 
PLUMED:    scalar with label H-A_H_178-O_144 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_178-O_144
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_178-C_143 
PLUMED:    scalar with label H-A_H_178-O_144 
PLUMED:    scalar with label A-B_O_144-C_143 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_178-O_144
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_178-O_144 
PLUMED:    scalar with label ang_DHA_hbond_H_178-O_144 
PLUMED:    scalar with label ang_BAH_hbond_H_178-O_144 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_178-O_144
PLUMED:   added component to this action:  VA_H_178-O_144.x 
PLUMED:   added component to this action:  VA_H_178-O_144.y 
PLUMED:   added component to this action:  VA_H_178-O_144.z 
PLUMED:   added component to this action:  VA_H_178-O_144.mass 
PLUMED:   added component to this action:  VA_H_178-O_144.charge 
PLUMED:   of atoms 143 144 145
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_178-O_144
PLUMED:   added component to this action:  VH_H_178-O_144.x 
PLUMED:   added component to this action:  VH_H_178-O_144.y 
PLUMED:   added component to this action:  VH_H_178-O_144.z 
PLUMED:   added component to this action:  VH_H_178-O_144.mass 
PLUMED:   added component to this action:  VH_H_178-O_144.charge 
PLUMED:   of atoms 177 178 179
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_178-O_144
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100035  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_178-O_144
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100036  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_178-O_151
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   178  
PLUMED:   second group:
PLUMED:   151  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_178-O_151
PLUMED:   between atoms 178 151
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_178-C_150
PLUMED:   between atoms 178 150
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_177-O_151
PLUMED:   between atoms 177 151
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label A-B_O_151-C_150
PLUMED:   between atoms 151 150
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_178-O_151
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_177-O_151 
PLUMED:    scalar with label H-D_H_178-N_177 
PLUMED:    scalar with label H-A_H_178-O_151 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_178-O_151
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_178-C_150 
PLUMED:    scalar with label H-A_H_178-O_151 
PLUMED:    scalar with label A-B_O_151-C_150 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_178-O_151
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_178-O_151 
PLUMED:    scalar with label ang_DHA_hbond_H_178-O_151 
PLUMED:    scalar with label ang_BAH_hbond_H_178-O_151 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_178-O_151
PLUMED:   added component to this action:  VA_H_178-O_151.x 
PLUMED:   added component to this action:  VA_H_178-O_151.y 
PLUMED:   added component to this action:  VA_H_178-O_151.z 
PLUMED:   added component to this action:  VA_H_178-O_151.mass 
PLUMED:   added component to this action:  VA_H_178-O_151.charge 
PLUMED:   of atoms 150 151 152
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_178-O_151
PLUMED:   added component to this action:  VH_H_178-O_151.x 
PLUMED:   added component to this action:  VH_H_178-O_151.y 
PLUMED:   added component to this action:  VH_H_178-O_151.z 
PLUMED:   added component to this action:  VH_H_178-O_151.mass 
PLUMED:   added component to this action:  VH_H_178-O_151.charge 
PLUMED:   of atoms 177 178 179
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_178-O_151
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100037  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_178-O_151
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100038  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_196-OG_184
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   196  
PLUMED:   second group:
PLUMED:   184  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-D_H_196-N_195
PLUMED:   between atoms 196 195
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_196-OG_184
PLUMED:   between atoms 196 184
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_196-CB_181
PLUMED:   between atoms 196 181
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_195-OG_184
PLUMED:   between atoms 195 184
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label A-B_OG_184-CB_181
PLUMED:   between atoms 184 181
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_196-OG_184
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_195-OG_184 
PLUMED:    scalar with label H-D_H_196-N_195 
PLUMED:    scalar with label H-A_H_196-OG_184 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_196-OG_184
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_196-CB_181 
PLUMED:    scalar with label H-A_H_196-OG_184 
PLUMED:    scalar with label A-B_OG_184-CB_181 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_196-OG_184
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_196-OG_184 
PLUMED:    scalar with label ang_DHA_hbond_H_196-OG_184 
PLUMED:    scalar with label ang_BAH_hbond_H_196-OG_184 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_196-OG_184
PLUMED:   added component to this action:  VA_H_196-OG_184.x 
PLUMED:   added component to this action:  VA_H_196-OG_184.y 
PLUMED:   added component to this action:  VA_H_196-OG_184.z 
PLUMED:   added component to this action:  VA_H_196-OG_184.mass 
PLUMED:   added component to this action:  VA_H_196-OG_184.charge 
PLUMED:   of atoms 181 184 185
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_196-OG_184
PLUMED:   added component to this action:  VH_H_196-OG_184.x 
PLUMED:   added component to this action:  VH_H_196-OG_184.y 
PLUMED:   added component to this action:  VH_H_196-OG_184.z 
PLUMED:   added component to this action:  VH_H_196-OG_184.mass 
PLUMED:   added component to this action:  VH_H_196-OG_184.charge 
PLUMED:   of atoms 195 196 197
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_196-OG_184
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100039  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_196-OG_184
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100040  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_146-O_115
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   146  
PLUMED:   second group:
PLUMED:   115  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_146-O_115
PLUMED:   between atoms 146 115
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_146-C_114
PLUMED:   between atoms 146 114
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_145-O_115
PLUMED:   between atoms 145 115
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_146-O_115
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_145-O_115 
PLUMED:    scalar with label H-D_H_146-N_145 
PLUMED:    scalar with label H-A_H_146-O_115 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_146-O_115
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_146-C_114 
PLUMED:    scalar with label H-A_H_146-O_115 
PLUMED:    scalar with label A-B_O_115-C_114 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_146-O_115
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_146-O_115 
PLUMED:    scalar with label ang_DHA_hbond_H_146-O_115 
PLUMED:    scalar with label ang_BAH_hbond_H_146-O_115 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_146-O_115
PLUMED:   added component to this action:  VA_H_146-O_115.x 
PLUMED:   added component to this action:  VA_H_146-O_115.y 
PLUMED:   added component to this action:  VA_H_146-O_115.z 
PLUMED:   added component to this action:  VA_H_146-O_115.mass 
PLUMED:   added component to this action:  VA_H_146-O_115.charge 
PLUMED:   of atoms 114 115 116
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_146-O_115
PLUMED:   added component to this action:  VH_H_146-O_115.x 
PLUMED:   added component to this action:  VH_H_146-O_115.y 
PLUMED:   added component to this action:  VH_H_146-O_115.z 
PLUMED:   added component to this action:  VH_H_146-O_115.mass 
PLUMED:   added component to this action:  VH_H_146-O_115.charge 
PLUMED:   of atoms 145 146 147
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_146-O_115
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100041  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_146-O_115
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100042  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_47-O_55
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   47  
PLUMED:   second group:
PLUMED:   55  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_47-O_55
PLUMED:   between atoms 47 55
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_47-C_54
PLUMED:   between atoms 47 54
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_46-O_55
PLUMED:   between atoms 46 55
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_47-O_55
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_46-O_55 
PLUMED:    scalar with label H-D_H_47-N_46 
PLUMED:    scalar with label H-A_H_47-O_55 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_47-O_55
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_47-C_54 
PLUMED:    scalar with label H-A_H_47-O_55 
PLUMED:    scalar with label A-B_O_55-C_54 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_47-O_55
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_47-O_55 
PLUMED:    scalar with label ang_DHA_hbond_H_47-O_55 
PLUMED:    scalar with label ang_BAH_hbond_H_47-O_55 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_47-O_55
PLUMED:   added component to this action:  VA_H_47-O_55.x 
PLUMED:   added component to this action:  VA_H_47-O_55.y 
PLUMED:   added component to this action:  VA_H_47-O_55.z 
PLUMED:   added component to this action:  VA_H_47-O_55.mass 
PLUMED:   added component to this action:  VA_H_47-O_55.charge 
PLUMED:   of atoms 54 55 56
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_47-O_55
PLUMED:   added component to this action:  VH_H_47-O_55.x 
PLUMED:   added component to this action:  VH_H_47-O_55.y 
PLUMED:   added component to this action:  VH_H_47-O_55.z 
PLUMED:   added component to this action:  VH_H_47-O_55.mass 
PLUMED:   added component to this action:  VH_H_47-O_55.charge 
PLUMED:   of atoms 46 47 48
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_47-O_55
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100043  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_47-O_55
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100044  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_26-O_45
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   26  
PLUMED:   second group:
PLUMED:   45  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-D_H_26-N_25
PLUMED:   between atoms 26 25
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_26-O_45
PLUMED:   between atoms 26 45
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_26-C_44
PLUMED:   between atoms 26 44
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_25-O_45
PLUMED:   between atoms 25 45
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_26-O_45
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_25-O_45 
PLUMED:    scalar with label H-D_H_26-N_25 
PLUMED:    scalar with label H-A_H_26-O_45 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_26-O_45
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_26-C_44 
PLUMED:    scalar with label H-A_H_26-O_45 
PLUMED:    scalar with label A-B_O_45-C_44 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_26-O_45
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_26-O_45 
PLUMED:    scalar with label ang_DHA_hbond_H_26-O_45 
PLUMED:    scalar with label ang_BAH_hbond_H_26-O_45 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_26-O_45
PLUMED:   added component to this action:  VA_H_26-O_45.x 
PLUMED:   added component to this action:  VA_H_26-O_45.y 
PLUMED:   added component to this action:  VA_H_26-O_45.z 
PLUMED:   added component to this action:  VA_H_26-O_45.mass 
PLUMED:   added component to this action:  VA_H_26-O_45.charge 
PLUMED:   of atoms 44 45 46
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_26-O_45
PLUMED:   added component to this action:  VH_H_26-O_45.x 
PLUMED:   added component to this action:  VH_H_26-O_45.y 
PLUMED:   added component to this action:  VH_H_26-O_45.z 
PLUMED:   added component to this action:  VH_H_26-O_45.mass 
PLUMED:   added component to this action:  VH_H_26-O_45.charge 
PLUMED:   of atoms 25 26 27
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_26-O_45
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100045  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_26-O_45
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100046  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_16-O_24
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   16  
PLUMED:   second group:
PLUMED:   24  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-D_H_16-N_15
PLUMED:   between atoms 16 15
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_16-O_24
PLUMED:   between atoms 16 24
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_16-C_23
PLUMED:   between atoms 16 23
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_15-O_24
PLUMED:   between atoms 15 24
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_16-O_24
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_15-O_24 
PLUMED:    scalar with label H-D_H_16-N_15 
PLUMED:    scalar with label H-A_H_16-O_24 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_16-O_24
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_16-C_23 
PLUMED:    scalar with label H-A_H_16-O_24 
PLUMED:    scalar with label A-B_O_24-C_23 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_16-O_24
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_16-O_24 
PLUMED:    scalar with label ang_DHA_hbond_H_16-O_24 
PLUMED:    scalar with label ang_BAH_hbond_H_16-O_24 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_16-O_24
PLUMED:   added component to this action:  VA_H_16-O_24.x 
PLUMED:   added component to this action:  VA_H_16-O_24.y 
PLUMED:   added component to this action:  VA_H_16-O_24.z 
PLUMED:   added component to this action:  VA_H_16-O_24.mass 
PLUMED:   added component to this action:  VA_H_16-O_24.charge 
PLUMED:   of atoms 23 24 25
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_16-O_24
PLUMED:   added component to this action:  VH_H_16-O_24.x 
PLUMED:   added component to this action:  VH_H_16-O_24.y 
PLUMED:   added component to this action:  VH_H_16-O_24.z 
PLUMED:   added component to this action:  VH_H_16-O_24.mass 
PLUMED:   added component to this action:  VH_H_16-O_24.charge 
PLUMED:   of atoms 15 16 17
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_16-O_24
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100047  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_16-O_24
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100048  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_98-O_115
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   98  
PLUMED:   second group:
PLUMED:   115  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_98-O_115
PLUMED:   between atoms 98 115
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_98-C_114
PLUMED:   between atoms 98 114
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_97-O_115
PLUMED:   between atoms 97 115
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_98-O_115
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_97-O_115 
PLUMED:    scalar with label H-D_H_98-N_97 
PLUMED:    scalar with label H-A_H_98-O_115 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_98-O_115
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_98-C_114 
PLUMED:    scalar with label H-A_H_98-O_115 
PLUMED:    scalar with label A-B_O_115-C_114 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_98-O_115
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_98-O_115 
PLUMED:    scalar with label ang_DHA_hbond_H_98-O_115 
PLUMED:    scalar with label ang_BAH_hbond_H_98-O_115 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_98-O_115
PLUMED:   added component to this action:  VA_H_98-O_115.x 
PLUMED:   added component to this action:  VA_H_98-O_115.y 
PLUMED:   added component to this action:  VA_H_98-O_115.z 
PLUMED:   added component to this action:  VA_H_98-O_115.mass 
PLUMED:   added component to this action:  VA_H_98-O_115.charge 
PLUMED:   of atoms 114 115 116
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_98-O_115
PLUMED:   added component to this action:  VH_H_98-O_115.x 
PLUMED:   added component to this action:  VH_H_98-O_115.y 
PLUMED:   added component to this action:  VH_H_98-O_115.z 
PLUMED:   added component to this action:  VH_H_98-O_115.mass 
PLUMED:   added component to this action:  VH_H_98-O_115.charge 
PLUMED:   of atoms 97 98 99
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_98-O_115
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100049  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_98-O_115
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100050  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_57-O_72
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   57  
PLUMED:   second group:
PLUMED:   72  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_57-O_72
PLUMED:   between atoms 57 72
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_57-C_71
PLUMED:   between atoms 57 71
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_56-O_72
PLUMED:   between atoms 56 72
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_57-O_72
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_56-O_72 
PLUMED:    scalar with label H-D_H_57-N_56 
PLUMED:    scalar with label H-A_H_57-O_72 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_57-O_72
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_57-C_71 
PLUMED:    scalar with label H-A_H_57-O_72 
PLUMED:    scalar with label A-B_O_72-C_71 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_57-O_72
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_57-O_72 
PLUMED:    scalar with label ang_DHA_hbond_H_57-O_72 
PLUMED:    scalar with label ang_BAH_hbond_H_57-O_72 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_57-O_72
PLUMED:   added component to this action:  VA_H_57-O_72.x 
PLUMED:   added component to this action:  VA_H_57-O_72.y 
PLUMED:   added component to this action:  VA_H_57-O_72.z 
PLUMED:   added component to this action:  VA_H_57-O_72.mass 
PLUMED:   added component to this action:  VA_H_57-O_72.charge 
PLUMED:   of atoms 71 72 73
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_57-O_72
PLUMED:   added component to this action:  VH_H_57-O_72.x 
PLUMED:   added component to this action:  VH_H_57-O_72.y 
PLUMED:   added component to this action:  VH_H_57-O_72.z 
PLUMED:   added component to this action:  VH_H_57-O_72.mass 
PLUMED:   added component to this action:  VH_H_57-O_72.charge 
PLUMED:   of atoms 56 57 58
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_57-O_72
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100051  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_57-O_72
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100052  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label cont_H_74-O_96
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   74  
PLUMED:   second group:
PLUMED:   96  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action DISTANCE
PLUMED:   with label H-A_H_74-O_96
PLUMED:   between atoms 74 96
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label H-B_H_74-C_95
PLUMED:   between atoms 74 95
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label D-A_N_73-O_96
PLUMED:   between atoms 73 96
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label ang_DHA_hbond_H_74-O_96
PLUMED:   with arguments : 
PLUMED:    scalar with label D-A_N_73-O_96 
PLUMED:    scalar with label H-D_H_74-N_73 
PLUMED:    scalar with label H-A_H_74-O_96 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label ang_BAH_hbond_H_74-O_96
PLUMED:   with arguments : 
PLUMED:    scalar with label H-B_H_74-C_95 
PLUMED:    scalar with label H-A_H_74-O_96 
PLUMED:    scalar with label A-B_O_96-C_95 
PLUMED:   with function : x/(y+z)
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: (x)/((y)+(z))
PLUMED:   derivatives as computed by lepton:
PLUMED:     ((y)+(z))/(square((y)+(z)))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED:     -((x)/(square((y)+(z))))
PLUMED: Action CUSTOM
PLUMED:   with label hbond_H_74-O_96
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_74-O_96 
PLUMED:    scalar with label ang_DHA_hbond_H_74-O_96 
PLUMED:    scalar with label ang_BAH_hbond_H_74-O_96 
PLUMED:   with function : x*y*z
PLUMED:   with variables : x y z
PLUMED:   function as parsed by lepton: ((x)*(y))*(z)
PLUMED:   derivatives as computed by lepton:
PLUMED:     (z)*(y)
PLUMED:     (z)*(x)
PLUMED:     (x)*(y)
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action GHOST
PLUMED:   with label VA_H_74-O_96
PLUMED:   added component to this action:  VA_H_74-O_96.x 
PLUMED:   added component to this action:  VA_H_74-O_96.y 
PLUMED:   added component to this action:  VA_H_74-O_96.z 
PLUMED:   added component to this action:  VA_H_74-O_96.mass 
PLUMED:   added component to this action:  VA_H_74-O_96.charge 
PLUMED:   of atoms 95 96 97
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action GHOST
PLUMED:   with label VH_H_74-O_96
PLUMED:   added component to this action:  VH_H_74-O_96.x 
PLUMED:   added component to this action:  VH_H_74-O_96.y 
PLUMED:   added component to this action:  VH_H_74-O_96.z 
PLUMED:   added component to this action:  VH_H_74-O_96.mass 
PLUMED:   added component to this action:  VH_H_74-O_96.charge 
PLUMED:   of atoms 73 74 75
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label NWH_H_74-O_96
PLUMED:   between two groups of 1 and 3078 atoms
PLUMED:   first group:
PLUMED:   100053  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_H_74-O_96
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   100054  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_74-O_24
PLUMED:   between two groups of 1 and 48 atoms
PLUMED:   first group:
PLUMED:   100004  
PLUMED:   second group:
PLUMED:   15  97  55  72  96  67  116  247  1  68  83  126  260  115  11  12  232  38  261  145  246  214  134  233  
PLUMED:   135  211  138  208  125  137  271  218  272  151  152  144  219  184  268  195  177  166  188  165  187  194  173  176  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_74-O_96
PLUMED:   between two groups of 1 and 48 atoms
PLUMED:   first group:
PLUMED:   100054  
PLUMED:   second group:
PLUMED:   15  97  55  72  96  67  116  247  1  68  83  126  260  115  11  12  232  38  261  145  246  214  134  233  
PLUMED:   135  211  138  208  125  137  271  218  272  151  152  144  219  184  268  195  177  166  188  165  187  194  173  176  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_74-O_45
PLUMED:   between two groups of 1 and 48 atoms
PLUMED:   first group:
PLUMED:   100020  
PLUMED:   second group:
PLUMED:   15  97  55  72  96  67  116  247  1  68  83  126  260  115  11  12  232  38  261  145  246  214  134  233  
PLUMED:   135  211  138  208  125  137  271  218  272  151  152  144  219  184  268  195  177  166  188  165  187  194  173  176  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_139-O_115
PLUMED:   between two groups of 1 and 49 atoms
PLUMED:   first group:
PLUMED:   100018  
PLUMED:   second group:
PLUMED:   97  145  137  72  144  55  73  135  134  45  56  151  152  184  83  173  166  177  46  24  214  208  68  211  
PLUMED:   176  67  165  218  25  14  188  187  195  38  232  233  15  247  219  1  194  246  260  11  12  261  271  272  268  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_139-O_96
PLUMED:   between two groups of 1 and 49 atoms
PLUMED:   first group:
PLUMED:   100034  
PLUMED:   second group:
PLUMED:   97  145  137  72  144  55  73  135  134  45  56  151  152  184  83  173  166  177  46  24  214  208  68  211  
PLUMED:   176  67  165  218  25  14  188  187  195  38  232  233  15  247  219  1  194  246  260  11  12  261  271  272  268  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_146-O_96
PLUMED:   between two groups of 1 and 47 atoms
PLUMED:   first group:
PLUMED:   100012  
PLUMED:   second group:
PLUMED:   72  73  144  125  151  83  134  152  184  135  55  45  177  214  208  56  166  211  218  24  173  195  46  188  
PLUMED:   232  165  187  176  25  233  219  247  68  67  38  14  194  246  15  260  1  261  11  12  268  271  272  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_146-O_115
PLUMED:   between two groups of 1 and 47 atoms
PLUMED:   first group:
PLUMED:   100042  
PLUMED:   second group:
PLUMED:   72  73  144  125  151  83  134  152  184  135  55  45  177  214  208  56  166  211  218  24  173  195  46  188  
PLUMED:   232  165  187  176  25  233  219  247  68  67  38  14  194  246  15  260  1  261  11  12  268  271  272  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_127-O_96
PLUMED:   between two groups of 1 and 48 atoms
PLUMED:   first group:
PLUMED:   100030  
PLUMED:   second group:
PLUMED:   56  115  125  138  134  135  45  137  145  24  46  68  67  83  214  14  25  144  211  208  151  184  152  15  
PLUMED:   218  232  247  1  177  166  195  233  38  173  188  219  187  246  165  176  11  12  260  194  261  271  272  268  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_127-O_72
PLUMED:   between two groups of 1 and 48 atoms
PLUMED:   first group:
PLUMED:   100014  
PLUMED:   second group:
PLUMED:   56  115  125  138  134  135  45  137  145  24  46  68  67  83  214  14  25  144  211  208  151  184  152  15  
PLUMED:   218  232  247  1  177  166  195  233  38  173  188  219  187  246  165  176  11  12  260  194  261  271  272  268  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_26-O_45
PLUMED:   between two groups of 1 and 53 atoms
PLUMED:   first group:
PLUMED:   100046  
PLUMED:   second group:
PLUMED:   14  46  24  12  11  1  45  56  260  73  247  271  261  272  55  97  67  38  72  246  68  268  96  116  
PLUMED:   83  232  233  115  126  145  214  211  208  218  134  135  219  138  125  152  151  137  144  184  195  166  177  165  194  
PLUMED:   188  187  173  176  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_178-O_151
PLUMED:   between two groups of 1 and 47 atoms
PLUMED:   first group:
PLUMED:   100038  
PLUMED:   second group:
PLUMED:   173  188  176  187  138  137  83  195  218  96  115  194  97  126  208  219  232  211  116  125  214  233  134  135  
PLUMED:   73  72  45  247  38  55  246  24  56  46  25  260  68  67  14  261  15  268  271  272  1  11  12  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_178-O_144
PLUMED:   between two groups of 1 and 47 atoms
PLUMED:   first group:
PLUMED:   100036  
PLUMED:   second group:
PLUMED:   173  188  176  187  138  137  83  195  218  96  115  194  97  126  208  219  232  211  116  125  214  233  134  135  
PLUMED:   73  72  45  247  38  55  246  24  56  46  25  260  68  67  14  261  15  268  271  272  1  11  12  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_57-O_72
PLUMED:   between two groups of 1 and 48 atoms
PLUMED:   first group:
PLUMED:   100052  
PLUMED:   second group:
PLUMED:   45  73  55  67  11  12  72  68  97  116  96  126  247  115  260  83  134  261  135  38  125  214  271  138  
PLUMED:   145  272  246  232  211  208  137  233  151  268  218  152  144  184  219  195  177  166  188  165  187  173  194  176  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_57-O_14
PLUMED:   between two groups of 1 and 48 atoms
PLUMED:   first group:
PLUMED:   100006  
PLUMED:   second group:
PLUMED:   45  73  55  67  11  12  72  68  97  116  96  126  247  115  260  83  134  261  135  38  125  214  271  138  
PLUMED:   145  272  246  232  211  208  137  233  151  268  218  152  144  184  219  195  177  166  188  165  187  173  194  176  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_57-O_24
PLUMED:   between two groups of 1 and 48 atoms
PLUMED:   first group:
PLUMED:   100024  
PLUMED:   second group:
PLUMED:   45  73  55  67  11  12  72  68  97  116  96  126  247  115  260  83  134  261  135  38  125  214  271  138  
PLUMED:   145  272  246  232  211  208  137  233  151  268  218  152  144  184  219  195  177  166  188  165  187  173  194  176  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_167-O_144
PLUMED:   between two groups of 1 and 49 atoms
PLUMED:   first group:
PLUMED:   100016  
PLUMED:   second group:
PLUMED:   177  165  138  176  115  184  137  96  188  97  83  126  187  116  125  218  195  72  73  45  135  134  194  208  
PLUMED:   219  38  233  55  232  214  211  56  46  247  24  246  25  260  14  68  67  15  261  1  268  271  272  11  12  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_HE1_84-O_218
PLUMED:   between two groups of 1 and 49 atoms
PLUMED:   first group:
PLUMED:   100010  
PLUMED:   second group:
PLUMED:   151  194  184  188  208  152  187  246  145  247  177  211  165  96  214  166  144  137  97  176  73  138  260  72  
PLUMED:   24  45  134  126  173  261  115  135  38  116  25  268  56  55  125  46  272  271  15  14  68  67  1  11  12  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_HE1_84-O_232
PLUMED:   between two groups of 1 and 49 atoms
PLUMED:   first group:
PLUMED:   100022  
PLUMED:   second group:
PLUMED:   151  194  184  188  208  152  187  246  145  247  177  211  165  96  214  166  144  137  97  176  73  138  260  72  
PLUMED:   24  45  134  126  173  261  115  135  38  116  25  268  56  55  125  46  272  271  15  14  68  67  1  11  12  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_47-O_14
PLUMED:   between two groups of 1 and 51 atoms
PLUMED:   first group:
PLUMED:   100028  
PLUMED:   second group:
PLUMED:   12  11  45  1  56  24  55  73  97  67  72  116  68  38  260  247  96  261  115  271  272  126  83  246  
PLUMED:   145  125  232  233  138  268  134  135  214  152  211  137  208  151  218  144  219  184  195  166  177  165  173  188  187  
PLUMED:   194  176  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_47-O_55
PLUMED:   between two groups of 1 and 51 atoms
PLUMED:   first group:
PLUMED:   100044  
PLUMED:   second group:
PLUMED:   12  11  45  1  56  24  55  73  97  67  72  116  68  38  260  247  96  261  115  271  272  126  83  246  
PLUMED:   145  125  232  233  138  268  134  135  214  152  211  137  208  151  218  144  219  184  195  166  177  165  173  188  187  
PLUMED:   194  176  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_16-O_24
PLUMED:   between two groups of 1 and 54 atoms
PLUMED:   first group:
PLUMED:   100048  
PLUMED:   second group:
PLUMED:   1  14  25  11  12  24  46  56  67  45  271  272  73  261  260  68  247  55  72  97  268  246  96  38  
PLUMED:   116  232  83  233  214  126  211  208  134  115  135  145  218  219  125  138  137  151  152  184  195  144  194  177  166  
PLUMED:   173  188  187  165  176  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_117-O_55
PLUMED:   between two groups of 1 and 47 atoms
PLUMED:   first group:
PLUMED:   100008  
PLUMED:   second group:
PLUMED:   96  126  115  24  14  125  25  67  68  138  145  15  135  134  137  1  83  144  11  12  38  214  152  151  
PLUMED:   247  211  208  184  232  218  233  260  166  177  246  173  261  195  219  165  188  187  176  271  272  194  268  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_117-O_72
PLUMED:   between two groups of 1 and 47 atoms
PLUMED:   first group:
PLUMED:   100032  
PLUMED:   second group:
PLUMED:   96  126  115  24  14  125  25  67  68  138  145  15  135  134  137  1  83  144  11  12  38  214  152  151  
PLUMED:   247  211  208  184  232  218  233  260  166  177  246  173  261  195  219  165  188  187  176  271  272  194  268  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_98-O_55
PLUMED:   between two groups of 1 and 47 atoms
PLUMED:   first group:
PLUMED:   100026  
PLUMED:   second group:
PLUMED:   116  72  96  14  115  15  126  83  38  145  247  67  138  1  125  68  152  260  11  12  137  151  144  134  
PLUMED:   232  135  233  246  214  218  208  211  261  184  166  219  271  177  272  195  165  173  268  188  187  176  194  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_98-O_115
PLUMED:   between two groups of 1 and 47 atoms
PLUMED:   first group:
PLUMED:   100050  
PLUMED:   second group:
PLUMED:   116  72  96  14  115  15  126  83  38  145  247  67  138  1  125  68  152  260  11  12  137  151  144  134  
PLUMED:   232  135  233  246  214  218  208  211  261  184  166  219  271  177  272  195  165  173  268  188  187  176  194  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_98-O_45
PLUMED:   between two groups of 1 and 47 atoms
PLUMED:   first group:
PLUMED:   100002  
PLUMED:   second group:
PLUMED:   116  72  96  14  115  15  126  83  38  145  247  67  138  1  125  68  152  260  11  12  137  151  144  134  
PLUMED:   232  135  233  246  214  218  208  211  261  184  166  219  271  177  272  195  165  173  268  188  187  176  194  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPA_H_196-OG_184
PLUMED:   between two groups of 1 and 48 atoms
PLUMED:   first group:
PLUMED:   100040  
PLUMED:   second group:
PLUMED:   194  83  165  176  152  166  145  219  208  144  137  211  96  232  138  214  173  233  134  126  97  135  115  73  
PLUMED:   72  247  246  125  116  45  24  55  38  56  260  25  46  261  68  67  14  268  15  272  271  1  11  12  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_HE1_84-O_218
PLUMED:   between two groups of 1 and 123 atoms
PLUMED:   first group:
PLUMED:   100009  
PLUMED:   second group:
PLUMED:   163  244  201  82  198  200  149  89  203  189  204  235  239  185  222  148  192  242  221  178  155  228  250  227  
PLUMED:   146  158  182  161  183  238  191  225  167  207  91  93  224  241  154  249  79  206  209  160  78  76  180  157  212  
PLUMED:   169  100  253  141  215  258  98  213  252  131  142  139  216  105  113  172  111  112  74  132  28  256  171  39  36  
PLUMED:   174  127  41  255  34  103  43  102  129  262  117  109  108  107  31  61  269  264  30  26  119  49  59  57  18  
PLUMED:   20  21  22  267  62  47  122  123  121  266  64  65  69  16  51  52  53  70  9  6  8  2  4  3  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_196-OG_184
PLUMED:   between two groups of 1 and 122 atoms
PLUMED:   first group:
PLUMED:   100039  
PLUMED:   second group:
PLUMED:   180  201  203  204  149  200  84  146  141  209  206  82  198  207  191  192  167  148  131  212  163  87  215  142  
PLUMED:   139  169  132  76  172  213  216  129  154  171  155  174  221  222  230  127  79  100  160  244  89  161  236  78  158  
PLUMED:   93  250  157  98  91  224  225  74  227  228  242  117  235  239  249  113  105  253  111  112  119  102  103  241  238  
PLUMED:   122  28  61  123  252  59  121  258  256  109  108  107  62  36  64  57  65  255  39  34  49  41  69  18  43  
PLUMED:   31  262  47  26  70  20  21  22  30  52  53  51  269  264  16  267  266  9  2  4  6  3  8  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_26-O_45
PLUMED:   between two groups of 1 and 117 atoms
PLUMED:   first group:
PLUMED:   100045  
PLUMED:   second group:
PLUMED:   79  76  47  109  108  57  107  111  113  112  91  43  34  30  59  31  249  127  252  26  146  250  53  52  
PLUMED:   51  149  41  36  253  148  82  62  61  155  119  122  121  139  244  18  123  39  89  242  132  84  64  154  87  
PLUMED:   65  255  131  256  20  21  22  241  142  158  16  9  129  157  141  69  239  258  8  2  163  6  4  185  3  
PLUMED:   236  215  167  216  70  209  238  213  201  161  212  178  182  200  160  203  207  204  183  235  262  206  196  230  264  
PLUMED:   227  189  198  174  221  172  180  171  228  169  269  224  222  267  192  266  225  191  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_74-O_45
PLUMED:   between two groups of 1 and 117 atoms
PLUMED:   first group:
PLUMED:   100019  
PLUMED:   second group:
PLUMED:   79  76  47  109  108  57  107  111  113  112  91  43  34  30  59  31  249  127  252  26  146  250  53  52  
PLUMED:   51  149  41  36  253  148  82  62  61  155  119  122  121  139  244  18  123  39  89  242  132  84  64  154  87  
PLUMED:   65  255  131  256  20  21  22  241  142  158  16  9  129  157  141  69  239  258  8  2  163  6  4  185  3  
PLUMED:   236  215  167  216  70  209  238  213  201  161  212  178  182  200  160  203  207  204  183  235  262  206  196  230  264  
PLUMED:   227  189  198  174  221  172  180  171  228  169  269  224  222  267  192  266  225  191  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_98-O_45
PLUMED:   between two groups of 1 and 117 atoms
PLUMED:   first group:
PLUMED:   100001  
PLUMED:   second group:
PLUMED:   79  76  47  109  108  57  107  111  113  112  91  43  34  30  59  31  249  127  252  26  146  250  53  52  
PLUMED:   51  149  41  36  253  148  82  62  61  155  119  122  121  139  244  18  123  39  89  242  132  84  64  154  87  
PLUMED:   65  255  131  256  20  21  22  241  142  158  16  9  129  157  141  69  239  258  8  2  163  6  4  185  3  
PLUMED:   236  215  167  216  70  209  238  213  201  161  212  178  182  200  160  203  207  204  183  235  262  206  196  230  264  
PLUMED:   227  189  198  174  221  172  180  171  228  169  269  224  222  267  192  266  225  191  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_98-O_115
PLUMED:   between two groups of 1 and 123 atoms
PLUMED:   first group:
PLUMED:   100049  
PLUMED:   second group:
PLUMED:   102  141  117  127  148  103  129  154  113  112  111  105  98  149  123  121  122  155  167  132  107  109  108  131  
PLUMED:   76  174  93  157  178  172  49  182  185  59  171  91  78  158  160  74  183  163  79  89  82  169  161  180  87  
PLUMED:   84  57  61  28  53  52  51  189  64  62  47  65  196  215  41  216  36  209  43  39  250  34  244  201  69  
PLUMED:   249  213  203  212  204  30  200  242  253  206  207  252  70  31  26  192  18  239  236  191  198  241  230  256  238  
PLUMED:   9  255  235  20  2  21  22  221  4  3  16  258  222  8  6  227  228  224  225  262  264  269  267  266  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_146-O_115
PLUMED:   between two groups of 1 and 123 atoms
PLUMED:   first group:
PLUMED:   100041  
PLUMED:   second group:
PLUMED:   102  141  117  127  148  103  129  154  113  112  111  105  98  149  123  121  122  155  167  132  107  109  108  131  
PLUMED:   76  174  93  157  178  172  49  182  185  59  171  91  78  158  160  74  183  163  79  89  82  169  161  180  87  
PLUMED:   84  57  61  28  53  52  51  189  64  62  47  65  196  215  41  216  36  209  43  39  250  34  244  201  69  
PLUMED:   249  213  203  212  204  30  200  242  253  206  207  252  70  31  26  192  18  239  236  191  198  241  230  256  238  
PLUMED:   9  255  235  20  2  21  22  221  4  3  16  258  222  8  6  227  228  224  225  262  264  269  267  266  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_139-O_115
PLUMED:   between two groups of 1 and 123 atoms
PLUMED:   first group:
PLUMED:   100017  
PLUMED:   second group:
PLUMED:   102  141  117  127  148  103  129  154  113  112  111  105  98  149  123  121  122  155  167  132  107  109  108  131  
PLUMED:   76  174  93  157  178  172  49  182  185  59  171  91  78  158  160  74  183  163  79  89  82  169  161  180  87  
PLUMED:   84  57  61  28  53  52  51  189  64  62  47  65  196  215  41  216  36  209  43  39  250  34  244  201  69  
PLUMED:   249  213  203  212  204  30  200  242  253  206  207  252  70  31  26  192  18  239  236  191  198  241  230  256  238  
PLUMED:   9  255  235  20  2  21  22  221  4  3  16  258  222  8  6  227  228  224  225  262  264  269  267  266  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_HE1_84-O_232
PLUMED:   between two groups of 1 and 122 atoms
PLUMED:   first group:
PLUMED:   100021  
PLUMED:   second group:
PLUMED:   258  200  201  224  230  253  203  204  249  207  79  256  198  228  222  236  235  209  206  225  242  87  241  252  
PLUMED:   78  212  255  76  196  262  238  239  215  213  93  149  28  216  74  89  185  148  269  91  146  264  267  20  21  
PLUMED:   98  22  163  183  189  18  155  182  131  192  132  34  31  191  61  178  100  266  26  36  43  127  41  158  105  
PLUMED:   62  154  39  57  30  180  139  161  103  167  117  141  59  113  111  47  16  112  64  65  157  129  160  142  49  
PLUMED:   102  109  108  107  69  169  70  122  123  121  119  6  172  51  52  53  171  174  9  8  4  2  3  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_178-O_151
PLUMED:   between two groups of 1 and 119 atoms
PLUMED:   first group:
PLUMED:   100037  
PLUMED:   second group:
PLUMED:   84  180  87  148  146  192  169  201  191  155  203  154  200  141  204  198  160  161  82  172  89  158  171  142  
PLUMED:   230  174  157  236  209  206  207  139  100  222  244  76  131  221  212  91  93  215  132  79  239  242  78  250  235  
PLUMED:   213  127  216  129  228  98  113  225  111  112  227  224  105  249  238  241  74  102  117  103  253  119  109  107  108  
PLUMED:   28  39  252  36  258  41  256  34  122  123  121  59  43  61  255  49  57  62  31  30  64  262  65  18  47  
PLUMED:   26  20  69  21  22  264  269  52  53  51  70  267  16  266  9  6  2  4  8  3  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_47-O_14
PLUMED:   between two groups of 1 and 112 atoms
PLUMED:   first group:
PLUMED:   100027  
PLUMED:   second group:
PLUMED:   65  26  16  6  8  28  98  30  117  69  21  20  22  78  31  103  70  79  76  122  121  123  252  253  
PLUMED:   43  34  127  93  105  102  255  100  256  249  119  109  108  250  107  132  82  41  111  36  112  113  131  91  139  
PLUMED:   146  129  258  244  149  216  148  39  215  242  84  262  213  241  155  209  212  89  142  87  264  207  141  154  206  
PLUMED:   201  200  203  185  239  204  267  158  238  269  236  182  266  157  183  235  163  196  230  167  178  227  221  198  161  
PLUMED:   160  224  228  189  180  222  174  225  172  171  169  192  191  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_57-O_14
PLUMED:   between two groups of 1 and 112 atoms
PLUMED:   first group:
PLUMED:   100005  
PLUMED:   second group:
PLUMED:   65  26  16  6  8  28  98  30  117  69  21  20  22  78  31  103  70  79  76  122  121  123  252  253  
PLUMED:   43  34  127  93  105  102  255  100  256  249  119  109  108  250  107  132  82  41  111  36  112  113  131  91  139  
PLUMED:   146  129  258  244  149  216  148  39  215  242  84  262  213  241  155  209  212  89  142  87  264  207  141  154  206  
PLUMED:   201  200  203  185  239  204  267  158  238  269  236  182  266  157  183  235  163  196  230  167  178  227  221  198  161  
PLUMED:   160  224  228  189  180  222  174  225  172  171  169  192  191  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_117-O_72
PLUMED:   between two groups of 1 and 118 atoms
PLUMED:   first group:
PLUMED:   100031  
PLUMED:   second group:
PLUMED:   61  139  74  119  98  64  65  62  146  69  79  100  57  78  103  82  102  70  142  141  215  49  149  216  
PLUMED:   93  105  148  213  209  18  28  185  52  212  53  51  47  182  253  84  111  113  112  250  183  207  206  109  108  
PLUMED:   107  252  155  203  154  204  201  26  249  200  91  178  244  21  20  2  22  30  4  167  87  256  3  196  34  
PLUMED:   16  43  31  180  9  89  255  6  189  163  242  36  41  174  158  157  172  8  258  198  171  160  39  221  241  
PLUMED:   169  236  161  230  239  191  192  222  262  227  235  238  224  228  225  264  267  269  266  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_57-O_72
PLUMED:   between two groups of 1 and 118 atoms
PLUMED:   first group:
PLUMED:   100051  
PLUMED:   second group:
PLUMED:   61  139  74  119  98  64  65  62  146  69  79  100  57  78  103  82  102  70  142  141  215  49  149  216  
PLUMED:   93  105  148  213  209  18  28  185  52  212  53  51  47  182  253  84  111  113  112  250  183  207  206  109  108  
PLUMED:   107  252  155  203  154  204  201  26  249  200  91  178  244  21  20  2  22  30  4  167  87  256  3  196  34  
PLUMED:   16  43  31  180  9  89  255  6  189  163  242  36  41  174  158  157  172  8  258  198  171  160  39  221  241  
PLUMED:   169  236  161  230  239  191  192  222  262  227  235  238  224  228  225  264  267  269  266  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_127-O_72
PLUMED:   between two groups of 1 and 118 atoms
PLUMED:   first group:
PLUMED:   100013  
PLUMED:   second group:
PLUMED:   61  139  74  119  98  64  65  62  146  69  79  100  57  78  103  82  102  70  142  141  215  49  149  216  
PLUMED:   93  105  148  213  209  18  28  185  52  212  53  51  47  182  253  84  111  113  112  250  183  207  206  109  108  
PLUMED:   107  252  155  203  154  204  201  26  249  200  91  178  244  21  20  2  22  30  4  167  87  256  3  196  34  
PLUMED:   16  43  31  180  9  89  255  6  189  163  242  36  41  174  158  157  172  8  258  198  171  160  39  221  241  
PLUMED:   169  236  161  230  239  191  192  222  262  227  235  238  224  228  225  264  267  269  266  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_74-O_96
PLUMED:   between two groups of 1 and 117 atoms
PLUMED:   first group:
PLUMED:   100053  
PLUMED:   second group:
PLUMED:   129  98  117  82  185  182  78  79  155  93  154  84  119  178  183  74  102  103  105  167  113  111  112  122  
PLUMED:   87  123  121  209  215  91  59  196  201  163  203  216  180  200  204  212  89  250  213  207  206  158  61  189  157  
PLUMED:   244  109  108  107  28  172  174  49  160  57  249  171  253  62  161  169  64  65  242  252  198  236  69  47  34  
PLUMED:   192  230  43  36  191  41  239  18  52  221  39  53  51  256  241  30  26  31  70  222  255  258  235  238  227  
PLUMED:   20  21  22  224  228  225  16  9  262  2  4  3  6  8  264  269  267  266  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_146-O_96
PLUMED:   between two groups of 1 and 117 atoms
PLUMED:   first group:
PLUMED:   100011  
PLUMED:   second group:
PLUMED:   129  98  117  82  185  182  78  79  155  93  154  84  119  178  183  74  102  103  105  167  113  111  112  122  
PLUMED:   87  123  121  209  215  91  59  196  201  163  203  216  180  200  204  212  89  250  213  207  206  158  61  189  157  
PLUMED:   244  109  108  107  28  172  174  49  160  57  249  171  253  62  161  169  64  65  242  252  198  236  69  47  34  
PLUMED:   192  230  43  36  191  41  239  18  52  221  39  53  51  256  241  30  26  31  70  222  255  258  235  238  227  
PLUMED:   20  21  22  224  228  225  16  9  262  2  4  3  6  8  264  269  267  266  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_127-O_96
PLUMED:   between two groups of 1 and 117 atoms
PLUMED:   first group:
PLUMED:   100029  
PLUMED:   second group:
PLUMED:   129  98  117  82  185  182  78  79  155  93  154  84  119  178  183  74  102  103  105  167  113  111  112  122  
PLUMED:   87  123  121  209  215  91  59  196  201  163  203  216  180  200  204  212  89  250  213  207  206  158  61  189  157  
PLUMED:   244  109  108  107  28  172  174  49  160  57  249  171  253  62  161  169  64  65  242  252  198  236  69  47  34  
PLUMED:   192  230  43  36  191  41  239  18  52  221  39  53  51  256  241  30  26  31  70  222  255  258  235  238  227  
PLUMED:   20  21  22  224  228  225  16  9  262  2  4  3  6  8  264  269  267  266  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_139-O_96
PLUMED:   between two groups of 1 and 117 atoms
PLUMED:   first group:
PLUMED:   100033  
PLUMED:   second group:
PLUMED:   129  98  117  82  185  182  78  79  155  93  154  84  119  178  183  74  102  103  105  167  113  111  112  122  
PLUMED:   87  123  121  209  215  91  59  196  201  163  203  216  180  200  204  212  89  250  213  207  206  158  61  189  157  
PLUMED:   244  109  108  107  28  172  174  49  160  57  249  171  253  62  161  169  64  65  242  252  198  236  69  47  34  
PLUMED:   192  230  43  36  191  41  239  18  52  221  39  53  51  256  241  30  26  31  70  222  255  258  235  238  227  
PLUMED:   20  21  22  224  228  225  16  9  262  2  4  3  6  8  264  269  267  266  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_98-O_55
PLUMED:   between two groups of 1 and 117 atoms
PLUMED:   first group:
PLUMED:   100025  
PLUMED:   second group:
PLUMED:   57  100  74  52  53  51  105  76  47  139  62  109  61  108  107  64  78  65  111  112  113  132  93  146  
PLUMED:   129  28  79  69  131  142  30  148  70  149  18  26  43  91  34  9  141  2  31  82  4  155  3  154  253  
PLUMED:   252  41  36  250  8  249  16  6  20  21  22  84  39  89  216  215  185  244  157  87  158  167  182  256  213  
PLUMED:   255  242  209  178  183  212  163  207  160  174  206  201  203  241  200  204  161  258  172  196  171  239  180  236  189  
PLUMED:   169  238  262  230  198  235  221  264  227  192  191  222  224  228  269  267  225  266  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_47-O_55
PLUMED:   between two groups of 1 and 117 atoms
PLUMED:   first group:
PLUMED:   100043  
PLUMED:   second group:
PLUMED:   57  100  74  52  53  51  105  76  47  139  62  109  61  108  107  64  78  65  111  112  113  132  93  146  
PLUMED:   129  28  79  69  131  142  30  148  70  149  18  26  43  91  34  9  141  2  31  82  4  155  3  154  253  
PLUMED:   252  41  36  250  8  249  16  6  20  21  22  84  39  89  216  215  185  244  157  87  158  167  182  256  213  
PLUMED:   255  242  209  178  183  212  163  207  160  174  206  201  203  241  200  204  161  258  172  196  171  239  180  236  189  
PLUMED:   169  238  262  230  198  235  221  264  227  192  191  222  224  228  269  267  225  266  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_117-O_55
PLUMED:   between two groups of 1 and 117 atoms
PLUMED:   first group:
PLUMED:   100007  
PLUMED:   second group:
PLUMED:   57  100  74  52  53  51  105  76  47  139  62  109  61  108  107  64  78  65  111  112  113  132  93  146  
PLUMED:   129  28  79  69  131  142  30  148  70  149  18  26  43  91  34  9  141  2  31  82  4  155  3  154  253  
PLUMED:   252  41  36  250  8  249  16  6  20  21  22  84  39  89  216  215  185  244  157  87  158  167  182  256  213  
PLUMED:   255  242  209  178  183  212  163  207  160  174  206  201  203  241  200  204  161  258  172  196  171  239  180  236  189  
PLUMED:   169  238  262  230  198  235  221  264  227  192  191  222  224  228  269  267  225  266  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_57-O_24
PLUMED:   between two groups of 1 and 116 atoms
PLUMED:   first group:
PLUMED:   100023  
PLUMED:   second group:
PLUMED:   26  59  250  20  21  47  22  82  64  93  65  249  256  31  49  255  117  16  30  127  103  34  132  43  
PLUMED:   69  52  51  105  244  53  100  258  6  84  131  9  70  146  122  2  4  102  121  123  149  3  216  91  215  
PLUMED:   8  213  242  209  36  212  148  41  139  109  108  107  207  111  262  113  119  112  241  129  87  206  200  201  203  
PLUMED:   89  155  204  39  185  239  264  236  142  154  141  238  230  235  196  221  227  182  183  267  198  158  269  163  224  
PLUMED:   178  266  157  228  167  222  189  225  161  160  180  192  191  174  172  169  171  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_74-O_24
PLUMED:   between two groups of 1 and 116 atoms
PLUMED:   first group:
PLUMED:   100003  
PLUMED:   second group:
PLUMED:   26  59  250  20  21  47  22  82  64  93  65  249  256  31  49  255  117  16  30  127  103  34  132  43  
PLUMED:   69  52  51  105  244  53  100  258  6  84  131  9  70  146  122  2  4  102  121  123  149  3  216  91  215  
PLUMED:   8  213  242  209  36  212  148  41  139  109  108  107  207  111  262  113  119  112  241  129  87  206  200  201  203  
PLUMED:   89  155  204  39  185  239  264  236  142  154  141  238  230  235  196  221  227  182  183  267  198  158  269  163  224  
PLUMED:   178  266  157  228  167  222  189  225  161  160  180  192  191  174  172  169  171  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_16-O_24
PLUMED:   between two groups of 1 and 116 atoms
PLUMED:   first group:
PLUMED:   100047  
PLUMED:   second group:
PLUMED:   26  59  250  20  21  47  22  82  64  93  65  249  256  31  49  255  117  16  30  127  103  34  132  43  
PLUMED:   69  52  51  105  244  53  100  258  6  84  131  9  70  146  122  2  4  102  121  123  149  3  216  91  215  
PLUMED:   8  213  242  209  36  212  148  41  139  109  108  107  207  111  262  113  119  112  241  129  87  206  200  201  203  
PLUMED:   89  155  204  39  185  239  264  236  142  154  141  238  230  235  196  221  227  182  183  267  198  158  269  163  224  
PLUMED:   178  266  157  228  167  222  189  225  161  160  180  192  191  174  172  169  171  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_178-O_144
PLUMED:   between two groups of 1 and 119 atoms
PLUMED:   first group:
PLUMED:   100035  
PLUMED:   second group:
PLUMED:   146  149  169  160  155  182  157  163  185  139  180  183  158  161  100  189  196  87  113  112  111  89  129  84  
PLUMED:   131  127  91  102  192  105  132  119  93  76  191  98  82  117  201  103  203  107  108  109  204  200  78  209  198  
PLUMED:   79  236  206  215  244  207  212  230  123  122  121  216  242  213  74  239  250  39  249  222  41  36  49  221  59  
PLUMED:   235  28  238  241  253  43  34  228  61  227  252  57  225  224  62  47  64  65  30  31  52  53  51  256  258  
PLUMED:   69  255  26  18  70  20  21  22  262  16  9  264  2  269  4  3  8  6  267  266  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NPD_H_167-O_144
PLUMED:   between two groups of 1 and 119 atoms
PLUMED:   first group:
PLUMED:   100015  
PLUMED:   second group:
PLUMED:   146  149  169  160  155  182  157  163  185  139  180  183  158  161  100  189  196  87  113  112  111  89  129  84  
PLUMED:   131  127  91  102  192  105  132  119  93  76  191  98  82  117  201  103  203  107  108  109  204  200  78  209  198  
PLUMED:   79  236  206  215  244  207  212  230  123  122  121  216  242  213  74  239  250  39  249  222  41  36  49  221  59  
PLUMED:   235  28  238  241  253  43  34  228  61  227  252  57  225  224  62  47  64  65  30  31  52  53  51  256  258  
PLUMED:   69  255  26  18  70  20  21  22  262  16  9  264  2  269  4  3  8  6  267  266  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label cont_HB_hardF
PLUMED:   with arguments : 
PLUMED:    scalar with label hbond_H_98-O_45 
PLUMED:    scalar with label hbond_H_74-O_24 
PLUMED:    scalar with label hbond_H_57-O_14 
PLUMED:    scalar with label hbond_H_117-O_55 
PLUMED:    scalar with label hbond_HE1_84-O_218 
PLUMED:    scalar with label hbond_H_146-O_96 
PLUMED:    scalar with label hbond_H_127-O_72 
PLUMED:    scalar with label hbond_H_167-O_144 
PLUMED:    scalar with label hbond_H_139-O_115 
PLUMED:   with coefficients: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED:   with parameters: 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label NWH_hardF
PLUMED:   between two groups of 9 and 3078 atoms
PLUMED:   first group:
PLUMED:   100001  100003  100005  100007  100009  100011  100013  100015  100017  
PLUMED:   second group:
PLUMED:   274  278  282  286  290  294  298  302  306  310  314  318  322  326  330  334  338  342  346  350  354  358  362  366  
PLUMED:   370  374  378  382  386  390  394  398  402  406  410  414  418  422  426  430  434  438  442  446  450  454  458  462  466  
PLUMED:   470  474  478  482  486  490  494  498  502  506  510  514  518  522  526  530  534  538  542  546  550  554  558  562  566  
PLUMED:   570  574  578  582  586  590  594  598  602  606  610  614  618  622  626  630  634  638  642  646  650  654  658  662  666  
PLUMED:   670  674  678  682  686  690  694  698  702  706  710  714  718  722  726  730  734  738  742  746  750  754  758  762  766  
PLUMED:   770  774  778  782  786  790  794  798  802  806  810  814  818  822  826  830  834  838  842  846  850  854  858  862  866  
PLUMED:   870  874  878  882  886  890  894  898  902  906  910  914  918  922  926  930  934  938  942  946  950  954  958  962  966  
PLUMED:   970  974  978  982  986  990  994  998  1002  1006  1010  1014  1018  1022  1026  1030  1034  1038  1042  1046  1050  1054  1058  1062  1066  
PLUMED:   1070  1074  1078  1082  1086  1090  1094  1098  1102  1106  1110  1114  1118  1122  1126  1130  1134  1138  1142  1146  1150  1154  1158  1162  1166  
PLUMED:   1170  1174  1178  1182  1186  1190  1194  1198  1202  1206  1210  1214  1218  1222  1226  1230  1234  1238  1242  1246  1250  1254  1258  1262  1266  
PLUMED:   1270  1274  1278  1282  1286  1290  1294  1298  1302  1306  1310  1314  1318  1322  1326  1330  1334  1338  1342  1346  1350  1354  1358  1362  1366  
PLUMED:   1370  1374  1378  1382  1386  1390  1394  1398  1402  1406  1410  1414  1418  1422  1426  1430  1434  1438  1442  1446  1450  1454  1458  1462  1466  
PLUMED:   1470  1474  1478  1482  1486  1490  1494  1498  1502  1506  1510  1514  1518  1522  1526  1530  1534  1538  1542  1546  1550  1554  1558  1562  1566  
PLUMED:   1570  1574  1578  1582  1586  1590  1594  1598  1602  1606  1610  1614  1618  1622  1626  1630  1634  1638  1642  1646  1650  1654  1658  1662  1666  
PLUMED:   1670  1674  1678  1682  1686  1690  1694  1698  1702  1706  1710  1714  1718  1722  1726  1730  1734  1738  1742  1746  1750  1754  1758  1762  1766  
PLUMED:   1770  1774  1778  1782  1786  1790  1794  1798  1802  1806  1810  1814  1818  1822  1826  1830  1834  1838  1842  1846  1850  1854  1858  1862  1866  
PLUMED:   1870  1874  1878  1882  1886  1890  1894  1898  1902  1906  1910  1914  1918  1922  1926  1930  1934  1938  1942  1946  1950  1954  1958  1962  1966  
PLUMED:   1970  1974  1978  1982  1986  1990  1994  1998  2002  2006  2010  2014  2018  2022  2026  2030  2034  2038  2042  2046  2050  2054  2058  2062  2066  
PLUMED:   2070  2074  2078  2082  2086  2090  2094  2098  2102  2106  2110  2114  2118  2122  2126  2130  2134  2138  2142  2146  2150  2154  2158  2162  2166  
PLUMED:   2170  2174  2178  2182  2186  2190  2194  2198  2202  2206  2210  2214  2218  2222  2226  2230  2234  2238  2242  2246  2250  2254  2258  2262  2266  
PLUMED:   2270  2274  2278  2282  2286  2290  2294  2298  2302  2306  2310  2314  2318  2322  2326  2330  2334  2338  2342  2346  2350  2354  2358  2362  2366  
PLUMED:   2370  2374  2378  2382  2386  2390  2394  2398  2402  2406  2410  2414  2418  2422  2426  2430  2434  2438  2442  2446  2450  2454  2458  2462  2466  
PLUMED:   2470  2474  2478  2482  2486  2490  2494  2498  2502  2506  2510  2514  2518  2522  2526  2530  2534  2538  2542  2546  2550  2554  2558  2562  2566  
PLUMED:   2570  2574  2578  2582  2586  2590  2594  2598  2602  2606  2610  2614  2618  2622  2626  2630  2634  2638  2642  2646  2650  2654  2658  2662  2666  
PLUMED:   2670  2674  2678  2682  2686  2690  2694  2698  2702  2706  2710  2714  2718  2722  2726  2730  2734  2738  2742  2746  2750  2754  2758  2762  2766  
PLUMED:   2770  2774  2778  2782  2786  2790  2794  2798  2802  2806  2810  2814  2818  2822  2826  2830  2834  2838  2842  2846  2850  2854  2858  2862  2866  
PLUMED:   2870  2874  2878  2882  2886  2890  2894  2898  2902  2906  2910  2914  2918  2922  2926  2930  2934  2938  2942  2946  2950  2954  2958  2962  2966  
PLUMED:   2970  2974  2978  2982  2986  2990  2994  2998  3002  3006  3010  3014  3018  3022  3026  3030  3034  3038  3042  3046  3050  3054  3058  3062  3066  
PLUMED:   3070  3074  3078  3082  3086  3090  3094  3098  3102  3106  3110  3114  3118  3122  3126  3130  3134  3138  3142  3146  3150  3154  3158  3162  3166  
PLUMED:   3170  3174  3178  3182  3186  3190  3194  3198  3202  3206  3210  3214  3218  3222  3226  3230  3234  3238  3242  3246  3250  3254  3258  3262  3266  
PLUMED:   3270  3274  3278  3282  3286  3290  3294  3298  3302  3306  3310  3314  3318  3322  3326  3330  3334  3338  3342  3346  3350  3354  3358  3362  3366  
PLUMED:   3370  3374  3378  3382  3386  3390  3394  3398  3402  3406  3410  3414  3418  3422  3426  3430  3434  3438  3442  3446  3450  3454  3458  3462  3466  
PLUMED:   3470  3474  3478  3482  3486  3490  3494  3498  3502  3506  3510  3514  3518  3522  3526  3530  3534  3538  3542  3546  3550  3554  3558  3562  3566  
PLUMED:   3570  3574  3578  3582  3586  3590  3594  3598  3602  3606  3610  3614  3618  3622  3626  3630  3634  3638  3642  3646  3650  3654  3658  3662  3666  
PLUMED:   3670  3674  3678  3682  3686  3690  3694  3698  3702  3706  3710  3714  3718  3722  3726  3730  3734  3738  3742  3746  3750  3754  3758  3762  3766  
PLUMED:   3770  3774  3778  3782  3786  3790  3794  3798  3802  3806  3810  3814  3818  3822  3826  3830  3834  3838  3842  3846  3850  3854  3858  3862  3866  
PLUMED:   3870  3874  3878  3882  3886  3890  3894  3898  3902  3906  3910  3914  3918  3922  3926  3930  3934  3938  3942  3946  3950  3954  3958  3962  3966  
PLUMED:   3970  3974  3978  3982  3986  3990  3994  3998  4002  4006  4010  4014  4018  4022  4026  4030  4034  4038  4042  4046  4050  4054  4058  4062  4066  
PLUMED:   4070  4074  4078  4082  4086  4090  4094  4098  4102  4106  4110  4114  4118  4122  4126  4130  4134  4138  4142  4146  4150  4154  4158  4162  4166  
PLUMED:   4170  4174  4178  4182  4186  4190  4194  4198  4202  4206  4210  4214  4218  4222  4226  4230  4234  4238  4242  4246  4250  4254  4258  4262  4266  
PLUMED:   4270  4274  4278  4282  4286  4290  4294  4298  4302  4306  4310  4314  4318  4322  4326  4330  4334  4338  4342  4346  4350  4354  4358  4362  4366  
PLUMED:   4370  4374  4378  4382  4386  4390  4394  4398  4402  4406  4410  4414  4418  4422  4426  4430  4434  4438  4442  4446  4450  4454  4458  4462  4466  
PLUMED:   4470  4474  4478  4482  4486  4490  4494  4498  4502  4506  4510  4514  4518  4522  4526  4530  4534  4538  4542  4546  4550  4554  4558  4562  4566  
PLUMED:   4570  4574  4578  4582  4586  4590  4594  4598  4602  4606  4610  4614  4618  4622  4626  4630  4634  4638  4642  4646  4650  4654  4658  4662  4666  
PLUMED:   4670  4674  4678  4682  4686  4690  4694  4698  4702  4706  4710  4714  4718  4722  4726  4730  4734  4738  4742  4746  4750  4754  4758  4762  4766  
PLUMED:   4770  4774  4778  4782  4786  4790  4794  4798  4802  4806  4810  4814  4818  4822  4826  4830  4834  4838  4842  4846  4850  4854  4858  4862  4866  
PLUMED:   4870  4874  4878  4882  4886  4890  4894  4898  4902  4906  4910  4914  4918  4922  4926  4930  4934  4938  4942  4946  4950  4954  4958  4962  4966  
PLUMED:   4970  4974  4978  4982  4986  4990  4994  4998  5002  5006  5010  5014  5018  5022  5026  5030  5034  5038  5042  5046  5050  5054  5058  5062  5066  
PLUMED:   5070  5074  5078  5082  5086  5090  5094  5098  5102  5106  5110  5114  5118  5122  5126  5130  5134  5138  5142  5146  5150  5154  5158  5162  5166  
PLUMED:   5170  5174  5178  5182  5186  5190  5194  5198  5202  5206  5210  5214  5218  5222  5226  5230  5234  5238  5242  5246  5250  5254  5258  5262  5266  
PLUMED:   5270  5274  5278  5282  5286  5290  5294  5298  5302  5306  5310  5314  5318  5322  5326  5330  5334  5338  5342  5346  5350  5354  5358  5362  5366  
PLUMED:   5370  5374  5378  5382  5386  5390  5394  5398  5402  5406  5410  5414  5418  5422  5426  5430  5434  5438  5442  5446  5450  5454  5458  5462  5466  
PLUMED:   5470  5474  5478  5482  5486  5490  5494  5498  5502  5506  5510  5514  5518  5522  5526  5530  5534  5538  5542  5546  5550  5554  5558  5562  5566  
PLUMED:   5570  5574  5578  5582  5586  5590  5594  5598  5602  5606  5610  5614  5618  5622  5626  5630  5634  5638  5642  5646  5650  5654  5658  5662  5666  
PLUMED:   5670  5674  5678  5682  5686  5690  5694  5698  5702  5706  5710  5714  5718  5722  5726  5730  5734  5738  5742  5746  5750  5754  5758  5762  5766  
PLUMED:   5770  5774  5778  5782  5786  5790  5794  5798  5802  5806  5810  5814  5818  5822  5826  5830  5834  5838  5842  5846  5850  5854  5858  5862  5866  
PLUMED:   5870  5874  5878  5882  5886  5890  5894  5898  5902  5906  5910  5914  5918  5922  5926  5930  5934  5938  5942  5946  5950  5954  5958  5962  5966  
PLUMED:   5970  5974  5978  5982  5986  5990  5994  5998  6002  6006  6010  6014  6018  6022  6026  6030  6034  6038  6042  6046  6050  6054  6058  6062  6066  
PLUMED:   6070  6074  6078  6082  6086  6090  6094  6098  6102  6106  6110  6114  6118  6122  6126  6130  6134  6138  6142  6146  6150  6154  6158  6162  6166  
PLUMED:   6170  6174  6178  6182  6186  6190  6194  6198  6202  6206  6210  6214  6218  6222  6226  6230  6234  6238  6242  6246  6250  6254  6258  6262  6266  
PLUMED:   6270  6274  6278  6282  6286  6290  6294  6298  6302  6306  6310  6314  6318  6322  6326  6330  6334  6338  6342  6346  6350  6354  6358  6362  6366  
PLUMED:   6370  6374  6378  6382  6386  6390  6394  6398  6402  6406  6410  6414  6418  6422  6426  275  279  283  287  291  295  299  303  307  311  
PLUMED:   315  319  323  327  331  335  339  343  347  351  355  359  363  367  371  375  379  383  387  391  395  399  403  407  411  
PLUMED:   415  419  423  427  431  435  439  443  447  451  455  459  463  467  471  475  479  483  487  491  495  499  503  507  511  
PLUMED:   515  519  523  527  531  535  539  543  547  551  555  559  563  567  571  575  579  583  587  591  595  599  603  607  611  
PLUMED:   615  619  623  627  631  635  639  643  647  651  655  659  663  667  671  675  679  683  687  691  695  699  703  707  711  
PLUMED:   715  719  723  727  731  735  739  743  747  751  755  759  763  767  771  775  779  783  787  791  795  799  803  807  811  
PLUMED:   815  819  823  827  831  835  839  843  847  851  855  859  863  867  871  875  879  883  887  891  895  899  903  907  911  
PLUMED:   915  919  923  927  931  935  939  943  947  951  955  959  963  967  971  975  979  983  987  991  995  999  1003  1007  1011  
PLUMED:   1015  1019  1023  1027  1031  1035  1039  1043  1047  1051  1055  1059  1063  1067  1071  1075  1079  1083  1087  1091  1095  1099  1103  1107  1111  
PLUMED:   1115  1119  1123  1127  1131  1135  1139  1143  1147  1151  1155  1159  1163  1167  1171  1175  1179  1183  1187  1191  1195  1199  1203  1207  1211  
PLUMED:   1215  1219  1223  1227  1231  1235  1239  1243  1247  1251  1255  1259  1263  1267  1271  1275  1279  1283  1287  1291  1295  1299  1303  1307  1311  
PLUMED:   1315  1319  1323  1327  1331  1335  1339  1343  1347  1351  1355  1359  1363  1367  1371  1375  1379  1383  1387  1391  1395  1399  1403  1407  1411  
PLUMED:   1415  1419  1423  1427  1431  1435  1439  1443  1447  1451  1455  1459  1463  1467  1471  1475  1479  1483  1487  1491  1495  1499  1503  1507  1511  
PLUMED:   1515  1519  1523  1527  1531  1535  1539  1543  1547  1551  1555  1559  1563  1567  1571  1575  1579  1583  1587  1591  1595  1599  1603  1607  1611  
PLUMED:   1615  1619  1623  1627  1631  1635  1639  1643  1647  1651  1655  1659  1663  1667  1671  1675  1679  1683  1687  1691  1695  1699  1703  1707  1711  
PLUMED:   1715  1719  1723  1727  1731  1735  1739  1743  1747  1751  1755  1759  1763  1767  1771  1775  1779  1783  1787  1791  1795  1799  1803  1807  1811  
PLUMED:   1815  1819  1823  1827  1831  1835  1839  1843  1847  1851  1855  1859  1863  1867  1871  1875  1879  1883  1887  1891  1895  1899  1903  1907  1911  
PLUMED:   1915  1919  1923  1927  1931  1935  1939  1943  1947  1951  1955  1959  1963  1967  1971  1975  1979  1983  1987  1991  1995  1999  2003  2007  2011  
PLUMED:   2015  2019  2023  2027  2031  2035  2039  2043  2047  2051  2055  2059  2063  2067  2071  2075  2079  2083  2087  2091  2095  2099  2103  2107  2111  
PLUMED:   2115  2119  2123  2127  2131  2135  2139  2143  2147  2151  2155  2159  2163  2167  2171  2175  2179  2183  2187  2191  2195  2199  2203  2207  2211  
PLUMED:   2215  2219  2223  2227  2231  2235  2239  2243  2247  2251  2255  2259  2263  2267  2271  2275  2279  2283  2287  2291  2295  2299  2303  2307  2311  
PLUMED:   2315  2319  2323  2327  2331  2335  2339  2343  2347  2351  2355  2359  2363  2367  2371  2375  2379  2383  2387  2391  2395  2399  2403  2407  2411  
PLUMED:   2415  2419  2423  2427  2431  2435  2439  2443  2447  2451  2455  2459  2463  2467  2471  2475  2479  2483  2487  2491  2495  2499  2503  2507  2511  
PLUMED:   2515  2519  2523  2527  2531  2535  2539  2543  2547  2551  2555  2559  2563  2567  2571  2575  2579  2583  2587  2591  2595  2599  2603  2607  2611  
PLUMED:   2615  2619  2623  2627  2631  2635  2639  2643  2647  2651  2655  2659  2663  2667  2671  2675  2679  2683  2687  2691  2695  2699  2703  2707  2711  
PLUMED:   2715  2719  2723  2727  2731  2735  2739  2743  2747  2751  2755  2759  2763  2767  2771  2775  2779  2783  2787  2791  2795  2799  2803  2807  2811  
PLUMED:   2815  2819  2823  2827  2831  2835  2839  2843  2847  2851  2855  2859  2863  2867  2871  2875  2879  2883  2887  2891  2895  2899  2903  2907  2911  
PLUMED:   2915  2919  2923  2927  2931  2935  2939  2943  2947  2951  2955  2959  2963  2967  2971  2975  2979  2983  2987  2991  2995  2999  3003  3007  3011  
PLUMED:   3015  3019  3023  3027  3031  3035  3039  3043  3047  3051  3055  3059  3063  3067  3071  3075  3079  3083  3087  3091  3095  3099  3103  3107  3111  
PLUMED:   3115  3119  3123  3127  3131  3135  3139  3143  3147  3151  3155  3159  3163  3167  3171  3175  3179  3183  3187  3191  3195  3199  3203  3207  3211  
PLUMED:   3215  3219  3223  3227  3231  3235  3239  3243  3247  3251  3255  3259  3263  3267  3271  3275  3279  3283  3287  3291  3295  3299  3303  3307  3311  
PLUMED:   3315  3319  3323  3327  3331  3335  3339  3343  3347  3351  3355  3359  3363  3367  3371  3375  3379  3383  3387  3391  3395  3399  3403  3407  3411  
PLUMED:   3415  3419  3423  3427  3431  3435  3439  3443  3447  3451  3455  3459  3463  3467  3471  3475  3479  3483  3487  3491  3495  3499  3503  3507  3511  
PLUMED:   3515  3519  3523  3527  3531  3535  3539  3543  3547  3551  3555  3559  3563  3567  3571  3575  3579  3583  3587  3591  3595  3599  3603  3607  3611  
PLUMED:   3615  3619  3623  3627  3631  3635  3639  3643  3647  3651  3655  3659  3663  3667  3671  3675  3679  3683  3687  3691  3695  3699  3703  3707  3711  
PLUMED:   3715  3719  3723  3727  3731  3735  3739  3743  3747  3751  3755  3759  3763  3767  3771  3775  3779  3783  3787  3791  3795  3799  3803  3807  3811  
PLUMED:   3815  3819  3823  3827  3831  3835  3839  3843  3847  3851  3855  3859  3863  3867  3871  3875  3879  3883  3887  3891  3895  3899  3903  3907  3911  
PLUMED:   3915  3919  3923  3927  3931  3935  3939  3943  3947  3951  3955  3959  3963  3967  3971  3975  3979  3983  3987  3991  3995  3999  4003  4007  4011  
PLUMED:   4015  4019  4023  4027  4031  4035  4039  4043  4047  4051  4055  4059  4063  4067  4071  4075  4079  4083  4087  4091  4095  4099  4103  4107  4111  
PLUMED:   4115  4119  4123  4127  4131  4135  4139  4143  4147  4151  4155  4159  4163  4167  4171  4175  4179  4183  4187  4191  4195  4199  4203  4207  4211  
PLUMED:   4215  4219  4223  4227  4231  4235  4239  4243  4247  4251  4255  4259  4263  4267  4271  4275  4279  4283  4287  4291  4295  4299  4303  4307  4311  
PLUMED:   4315  4319  4323  4327  4331  4335  4339  4343  4347  4351  4355  4359  4363  4367  4371  4375  4379  4383  4387  4391  4395  4399  4403  4407  4411  
PLUMED:   4415  4419  4423  4427  4431  4435  4439  4443  4447  4451  4455  4459  4463  4467  4471  4475  4479  4483  4487  4491  4495  4499  4503  4507  4511  
PLUMED:   4515  4519  4523  4527  4531  4535  4539  4543  4547  4551  4555  4559  4563  4567  4571  4575  4579  4583  4587  4591  4595  4599  4603  4607  4611  
PLUMED:   4615  4619  4623  4627  4631  4635  4639  4643  4647  4651  4655  4659  4663  4667  4671  4675  4679  4683  4687  4691  4695  4699  4703  4707  4711  
PLUMED:   4715  4719  4723  4727  4731  4735  4739  4743  4747  4751  4755  4759  4763  4767  4771  4775  4779  4783  4787  4791  4795  4799  4803  4807  4811  
PLUMED:   4815  4819  4823  4827  4831  4835  4839  4843  4847  4851  4855  4859  4863  4867  4871  4875  4879  4883  4887  4891  4895  4899  4903  4907  4911  
PLUMED:   4915  4919  4923  4927  4931  4935  4939  4943  4947  4951  4955  4959  4963  4967  4971  4975  4979  4983  4987  4991  4995  4999  5003  5007  5011  
PLUMED:   5015  5019  5023  5027  5031  5035  5039  5043  5047  5051  5055  5059  5063  5067  5071  5075  5079  5083  5087  5091  5095  5099  5103  5107  5111  
PLUMED:   5115  5119  5123  5127  5131  5135  5139  5143  5147  5151  5155  5159  5163  5167  5171  5175  5179  5183  5187  5191  5195  5199  5203  5207  5211  
PLUMED:   5215  5219  5223  5227  5231  5235  5239  5243  5247  5251  5255  5259  5263  5267  5271  5275  5279  5283  5287  5291  5295  5299  5303  5307  5311  
PLUMED:   5315  5319  5323  5327  5331  5335  5339  5343  5347  5351  5355  5359  5363  5367  5371  5375  5379  5383  5387  5391  5395  5399  5403  5407  5411  
PLUMED:   5415  5419  5423  5427  5431  5435  5439  5443  5447  5451  5455  5459  5463  5467  5471  5475  5479  5483  5487  5491  5495  5499  5503  5507  5511  
PLUMED:   5515  5519  5523  5527  5531  5535  5539  5543  5547  5551  5555  5559  5563  5567  5571  5575  5579  5583  5587  5591  5595  5599  5603  5607  5611  
PLUMED:   5615  5619  5623  5627  5631  5635  5639  5643  5647  5651  5655  5659  5663  5667  5671  5675  5679  5683  5687  5691  5695  5699  5703  5707  5711  
PLUMED:   5715  5719  5723  5727  5731  5735  5739  5743  5747  5751  5755  5759  5763  5767  5771  5775  5779  5783  5787  5791  5795  5799  5803  5807  5811  
PLUMED:   5815  5819  5823  5827  5831  5835  5839  5843  5847  5851  5855  5859  5863  5867  5871  5875  5879  5883  5887  5891  5895  5899  5903  5907  5911  
PLUMED:   5915  5919  5923  5927  5931  5935  5939  5943  5947  5951  5955  5959  5963  5967  5971  5975  5979  5983  5987  5991  5995  5999  6003  6007  6011  
PLUMED:   6015  6019  6023  6027  6031  6035  6039  6043  6047  6051  6055  6059  6063  6067  6071  6075  6079  6083  6087  6091  6095  6099  6103  6107  6111  
PLUMED:   6115  6119  6123  6127  6131  6135  6139  6143  6147  6151  6155  6159  6163  6167  6171  6175  6179  6183  6187  6191  6195  6199  6203  6207  6211  
PLUMED:   6215  6219  6223  6227  6231  6235  6239  6243  6247  6251  6255  6259  6263  6267  6271  6275  6279  6283  6287  6291  6295  6299  6303  6307  6311  
PLUMED:   6315  6319  6323  6327  6331  6335  6339  6343  6347  6351  6355  6359  6363  6367  6371  6375  6379  6383  6387  6391  6395  6399  6403  6407  6411  
PLUMED:   6415  6419  6423  6427  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label NWO_hardF
PLUMED:   between two groups of 9 and 1539 atoms
PLUMED:   first group:
PLUMED:   100002  100004  100006  100008  100010  100012  100014  100016  100018  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label NPA_hardF
PLUMED:   with arguments : 
PLUMED:    scalar with label NPA_H_98-O_45 
PLUMED:    scalar with label NPA_H_74-O_24 
PLUMED:    scalar with label NPA_H_57-O_14 
PLUMED:    scalar with label NPA_H_117-O_55 
PLUMED:    scalar with label NPA_HE1_84-O_218 
PLUMED:    scalar with label NPA_H_146-O_96 
PLUMED:    scalar with label NPA_H_127-O_72 
PLUMED:    scalar with label NPA_H_167-O_144 
PLUMED:    scalar with label NPA_H_139-O_115 
PLUMED:   with coefficients: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED:   with parameters: 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED: Action COMBINE
PLUMED:   with label NPD_hardF
PLUMED:   with arguments : 
PLUMED:    scalar with label NPD_H_98-O_45 
PLUMED:    scalar with label NPD_H_74-O_24 
PLUMED:    scalar with label NPD_H_57-O_14 
PLUMED:    scalar with label NPD_H_117-O_55 
PLUMED:    scalar with label NPD_HE1_84-O_218 
PLUMED:    scalar with label NPD_H_146-O_96 
PLUMED:    scalar with label NPD_H_127-O_72 
PLUMED:    scalar with label NPD_H_167-O_144 
PLUMED:    scalar with label NPD_H_139-O_115 
PLUMED:   with coefficients: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED:   with parameters: 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label cont_HB_softF
PLUMED:   between two groups of 12 and 12 atoms
PLUMED:   first group:
PLUMED:   74  84  57  98  47  127  117  139  178  178  196  146  
PLUMED:   second group:
PLUMED:   45  232  24  55  14  96  72  96  144  151  184  115  
PLUMED:   using periodic boundary conditions
PLUMED:   with PAIR option
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action COMBINE
PLUMED:   with label NPA_softF
PLUMED:   with arguments : 
PLUMED:    scalar with label NPA_H_74-O_45 
PLUMED:    scalar with label NPA_HE1_84-O_232 
PLUMED:    scalar with label NPA_H_57-O_24 
PLUMED:    scalar with label NPA_H_98-O_55 
PLUMED:    scalar with label NPA_H_47-O_14 
PLUMED:    scalar with label NPA_H_127-O_96 
PLUMED:    scalar with label NPA_H_117-O_72 
PLUMED:    scalar with label NPA_H_139-O_96 
PLUMED:    scalar with label NPA_H_178-O_144 
PLUMED:    scalar with label NPA_H_178-O_151 
PLUMED:    scalar with label NPA_H_196-OG_184 
PLUMED:    scalar with label NPA_H_146-O_115 
PLUMED:   with coefficients: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED:   with parameters: 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED: Action COMBINE
PLUMED:   with label NPD_softF
PLUMED:   with arguments : 
PLUMED:    scalar with label NPD_H_74-O_45 
PLUMED:    scalar with label NPD_HE1_84-O_232 
PLUMED:    scalar with label NPD_H_57-O_24 
PLUMED:    scalar with label NPD_H_98-O_55 
PLUMED:    scalar with label NPD_H_47-O_14 
PLUMED:    scalar with label NPD_H_127-O_96 
PLUMED:    scalar with label NPD_H_117-O_72 
PLUMED:    scalar with label NPD_H_139-O_96 
PLUMED:    scalar with label NPD_H_178-O_144 
PLUMED:    scalar with label NPD_H_178-O_151 
PLUMED:    scalar with label NPD_H_196-OG_184 
PLUMED:    scalar with label NPD_H_146-O_115 
PLUMED:   with coefficients: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED:   with parameters: 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label cont_HB_softU
PLUMED:   between two groups of 6 and 6 atoms
PLUMED:   first group:
PLUMED:   47  26  16  98  57  74  
PLUMED:   second group:
PLUMED:   55  45  24  115  72  96  
PLUMED:   using periodic boundary conditions
PLUMED:   with PAIR option
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=8
PLUMED: Action COMBINE
PLUMED:   with label NPA_softU
PLUMED:   with arguments : 
PLUMED:    scalar with label NPA_H_47-O_55 
PLUMED:    scalar with label NPA_H_26-O_45 
PLUMED:    scalar with label NPA_H_16-O_24 
PLUMED:    scalar with label NPA_H_98-O_115 
PLUMED:    scalar with label NPA_H_57-O_72 
PLUMED:    scalar with label NPA_H_74-O_96 
PLUMED:   with coefficients: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED:   with parameters: 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED: Action COMBINE
PLUMED:   with label NPD_softU
PLUMED:   with arguments : 
PLUMED:    scalar with label NPD_H_47-O_55 
PLUMED:    scalar with label NPD_H_26-O_45 
PLUMED:    scalar with label NPD_H_16-O_24 
PLUMED:    scalar with label NPD_H_98-O_115 
PLUMED:    scalar with label NPD_H_57-O_72 
PLUMED:    scalar with label NPD_H_74-O_96 
PLUMED:   with coefficients: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED:   with parameters: 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED: Action COMBINE
PLUMED:   with label diffHB_compact
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_HB_hardF 
PLUMED:    scalar with label NWH_hardF 
PLUMED:    scalar with label NWO_hardF 
PLUMED:    scalar with label NPA_hardF 
PLUMED:    scalar with label NPD_hardF 
PLUMED:    scalar with label cont_HB_softF 
PLUMED:    scalar with label NPA_softF 
PLUMED:    scalar with label NPD_softF 
PLUMED:    scalar with label cont_HB_softU 
PLUMED:    scalar with label NPA_softU 
PLUMED:    scalar with label NPD_softU 
PLUMED:   with coefficients: 1.000000 -0.062500 -0.125000 -1.000000 -0.500000 1.000000 -1.000000 -0.500000 -1.000000 0.000000 0.000000
PLUMED:   with parameters: 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_98-O_45
PLUMED:   with arguments : 
PLUMED:    scalar with label hbond_H_98-O_45 
PLUMED:    scalar with label NWH_H_98-O_45 
PLUMED:    scalar with label NWO_H_98-O_45 
PLUMED:    scalar with label NPA_H_98-O_45 
PLUMED:    scalar with label NPD_H_98-O_45 
PLUMED:   with function : x-y/16-z/8-t/2-w
PLUMED:   with variables : x y z t w
PLUMED:   function as parsed by lepton: ((((x)-(0.0625*(y)))-(0.125*(z)))-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.0625
PLUMED:     -0.125
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_74-O_24
PLUMED:   with arguments : 
PLUMED:    scalar with label hbond_H_74-O_24 
PLUMED:    scalar with label NWH_H_74-O_24 
PLUMED:    scalar with label NWO_H_74-O_24 
PLUMED:    scalar with label NPA_H_74-O_24 
PLUMED:    scalar with label NPD_H_74-O_24 
PLUMED:   with function : x-y/16-z/8-t/2-w
PLUMED:   with variables : x y z t w
PLUMED:   function as parsed by lepton: ((((x)-(0.0625*(y)))-(0.125*(z)))-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.0625
PLUMED:     -0.125
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_57-O_14
PLUMED:   with arguments : 
PLUMED:    scalar with label hbond_H_57-O_14 
PLUMED:    scalar with label NWH_H_57-O_14 
PLUMED:    scalar with label NWO_H_57-O_14 
PLUMED:    scalar with label NPA_H_57-O_14 
PLUMED:    scalar with label NPD_H_57-O_14 
PLUMED:   with function : x-y/16-z/8-t/2-w
PLUMED:   with variables : x y z t w
PLUMED:   function as parsed by lepton: ((((x)-(0.0625*(y)))-(0.125*(z)))-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.0625
PLUMED:     -0.125
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_117-O_55
PLUMED:   with arguments : 
PLUMED:    scalar with label hbond_H_117-O_55 
PLUMED:    scalar with label NWH_H_117-O_55 
PLUMED:    scalar with label NWO_H_117-O_55 
PLUMED:    scalar with label NPA_H_117-O_55 
PLUMED:    scalar with label NPD_H_117-O_55 
PLUMED:   with function : x-y/16-z/8-t/2-w
PLUMED:   with variables : x y z t w
PLUMED:   function as parsed by lepton: ((((x)-(0.0625*(y)))-(0.125*(z)))-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.0625
PLUMED:     -0.125
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_HE1_84-O_218
PLUMED:   with arguments : 
PLUMED:    scalar with label hbond_HE1_84-O_218 
PLUMED:    scalar with label NWH_HE1_84-O_218 
PLUMED:    scalar with label NWO_HE1_84-O_218 
PLUMED:    scalar with label NPA_HE1_84-O_218 
PLUMED:    scalar with label NPD_HE1_84-O_218 
PLUMED:   with function : x-y/16-z/8-t/2-w
PLUMED:   with variables : x y z t w
PLUMED:   function as parsed by lepton: ((((x)-(0.0625*(y)))-(0.125*(z)))-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.0625
PLUMED:     -0.125
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_146-O_96
PLUMED:   with arguments : 
PLUMED:    scalar with label hbond_H_146-O_96 
PLUMED:    scalar with label NWH_H_146-O_96 
PLUMED:    scalar with label NWO_H_146-O_96 
PLUMED:    scalar with label NPA_H_146-O_96 
PLUMED:    scalar with label NPD_H_146-O_96 
PLUMED:   with function : x-y/16-z/8-t/2-w
PLUMED:   with variables : x y z t w
PLUMED:   function as parsed by lepton: ((((x)-(0.0625*(y)))-(0.125*(z)))-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.0625
PLUMED:     -0.125
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_127-O_72
PLUMED:   with arguments : 
PLUMED:    scalar with label hbond_H_127-O_72 
PLUMED:    scalar with label NWH_H_127-O_72 
PLUMED:    scalar with label NWO_H_127-O_72 
PLUMED:    scalar with label NPA_H_127-O_72 
PLUMED:    scalar with label NPD_H_127-O_72 
PLUMED:   with function : x-y/16-z/8-t/2-w
PLUMED:   with variables : x y z t w
PLUMED:   function as parsed by lepton: ((((x)-(0.0625*(y)))-(0.125*(z)))-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.0625
PLUMED:     -0.125
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_167-O_144
PLUMED:   with arguments : 
PLUMED:    scalar with label hbond_H_167-O_144 
PLUMED:    scalar with label NWH_H_167-O_144 
PLUMED:    scalar with label NWO_H_167-O_144 
PLUMED:    scalar with label NPA_H_167-O_144 
PLUMED:    scalar with label NPD_H_167-O_144 
PLUMED:   with function : x-y/16-z/8-t/2-w
PLUMED:   with variables : x y z t w
PLUMED:   function as parsed by lepton: ((((x)-(0.0625*(y)))-(0.125*(z)))-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.0625
PLUMED:     -0.125
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_139-O_115
PLUMED:   with arguments : 
PLUMED:    scalar with label hbond_H_139-O_115 
PLUMED:    scalar with label NWH_H_139-O_115 
PLUMED:    scalar with label NWO_H_139-O_115 
PLUMED:    scalar with label NPA_H_139-O_115 
PLUMED:    scalar with label NPD_H_139-O_115 
PLUMED:   with function : x-y/16-z/8-t/2-w
PLUMED:   with variables : x y z t w
PLUMED:   function as parsed by lepton: ((((x)-(0.0625*(y)))-(0.125*(z)))-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.0625
PLUMED:     -0.125
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_74-O_45
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_74-O_45 
PLUMED:    scalar with label NPA_H_74-O_45 
PLUMED:    scalar with label NPD_H_74-O_45 
PLUMED:   with function : x-t/2-w
PLUMED:   with variables : x t w
PLUMED:   function as parsed by lepton: ((x)-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_HE1_84-O_232
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_HE1_84-O_232 
PLUMED:    scalar with label NPA_HE1_84-O_232 
PLUMED:    scalar with label NPD_HE1_84-O_232 
PLUMED:   with function : x-t/2-w
PLUMED:   with variables : x t w
PLUMED:   function as parsed by lepton: ((x)-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_57-O_24
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_57-O_24 
PLUMED:    scalar with label NPA_H_57-O_24 
PLUMED:    scalar with label NPD_H_57-O_24 
PLUMED:   with function : x-t/2-w
PLUMED:   with variables : x t w
PLUMED:   function as parsed by lepton: ((x)-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_98-O_55
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_98-O_55 
PLUMED:    scalar with label NPA_H_98-O_55 
PLUMED:    scalar with label NPD_H_98-O_55 
PLUMED:   with function : x-t/2-w
PLUMED:   with variables : x t w
PLUMED:   function as parsed by lepton: ((x)-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_47-O_14
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_47-O_14 
PLUMED:    scalar with label NPA_H_47-O_14 
PLUMED:    scalar with label NPD_H_47-O_14 
PLUMED:   with function : x-t/2-w
PLUMED:   with variables : x t w
PLUMED:   function as parsed by lepton: ((x)-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_127-O_96
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_127-O_96 
PLUMED:    scalar with label NPA_H_127-O_96 
PLUMED:    scalar with label NPD_H_127-O_96 
PLUMED:   with function : x-t/2-w
PLUMED:   with variables : x t w
PLUMED:   function as parsed by lepton: ((x)-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_117-O_72
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_117-O_72 
PLUMED:    scalar with label NPA_H_117-O_72 
PLUMED:    scalar with label NPD_H_117-O_72 
PLUMED:   with function : x-t/2-w
PLUMED:   with variables : x t w
PLUMED:   function as parsed by lepton: ((x)-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_139-O_96
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_139-O_96 
PLUMED:    scalar with label NPA_H_139-O_96 
PLUMED:    scalar with label NPD_H_139-O_96 
PLUMED:   with function : x-t/2-w
PLUMED:   with variables : x t w
PLUMED:   function as parsed by lepton: ((x)-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_178-O_144
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_178-O_144 
PLUMED:    scalar with label NPA_H_178-O_144 
PLUMED:    scalar with label NPD_H_178-O_144 
PLUMED:   with function : x-t/2-w
PLUMED:   with variables : x t w
PLUMED:   function as parsed by lepton: ((x)-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_178-O_151
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_178-O_151 
PLUMED:    scalar with label NPA_H_178-O_151 
PLUMED:    scalar with label NPD_H_178-O_151 
PLUMED:   with function : x-t/2-w
PLUMED:   with variables : x t w
PLUMED:   function as parsed by lepton: ((x)-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_196-OG_184
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_196-OG_184 
PLUMED:    scalar with label NPA_H_196-OG_184 
PLUMED:    scalar with label NPD_H_196-OG_184 
PLUMED:   with function : x-t/2-w
PLUMED:   with variables : x t w
PLUMED:   function as parsed by lepton: ((x)-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_146-O_115
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_146-O_115 
PLUMED:    scalar with label NPA_H_146-O_115 
PLUMED:    scalar with label NPD_H_146-O_115 
PLUMED:   with function : x-t/2-w
PLUMED:   with variables : x t w
PLUMED:   function as parsed by lepton: ((x)-(0.5*(t)))-(w)
PLUMED:   derivatives as computed by lepton:
PLUMED:     1
PLUMED:     -0.5
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_47-O_55
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_47-O_55 
PLUMED:   with function : -x
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: -(x)
PLUMED:   derivatives as computed by lepton:
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_26-O_45
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_26-O_45 
PLUMED:   with function : -x
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: -(x)
PLUMED:   derivatives as computed by lepton:
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_16-O_24
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_16-O_24 
PLUMED:   with function : -x
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: -(x)
PLUMED:   derivatives as computed by lepton:
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_98-O_115
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_98-O_115 
PLUMED:   with function : -x
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: -(x)
PLUMED:   derivatives as computed by lepton:
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_57-O_72
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_57-O_72 
PLUMED:   with function : -x
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: -(x)
PLUMED:   derivatives as computed by lepton:
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label diff_H_74-O_96
PLUMED:   with arguments : 
PLUMED:    scalar with label cont_H_74-O_96 
PLUMED:   with function : -x
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: -(x)
PLUMED:   derivatives as computed by lepton:
PLUMED:     -1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action COMBINE
PLUMED:   with label diffHB_non_compact
PLUMED:   with arguments : 
PLUMED:    scalar with label diff_H_98-O_45 
PLUMED:    scalar with label diff_H_74-O_24 
PLUMED:    scalar with label diff_H_57-O_14 
PLUMED:    scalar with label diff_H_117-O_55 
PLUMED:    scalar with label diff_HE1_84-O_218 
PLUMED:    scalar with label diff_H_146-O_96 
PLUMED:    scalar with label diff_H_127-O_72 
PLUMED:    scalar with label diff_H_167-O_144 
PLUMED:    scalar with label diff_H_139-O_115 
PLUMED:    scalar with label diff_H_74-O_45 
PLUMED:    scalar with label diff_HE1_84-O_232 
PLUMED:    scalar with label diff_H_57-O_24 
PLUMED:    scalar with label diff_H_98-O_55 
PLUMED:    scalar with label diff_H_47-O_14 
PLUMED:    scalar with label diff_H_127-O_96 
PLUMED:    scalar with label diff_H_117-O_72 
PLUMED:    scalar with label diff_H_139-O_96 
PLUMED:    scalar with label diff_H_178-O_144 
PLUMED:    scalar with label diff_H_178-O_151 
PLUMED:    scalar with label diff_H_196-OG_184 
PLUMED:    scalar with label diff_H_146-O_115 
PLUMED:    scalar with label diff_H_47-O_55 
PLUMED:    scalar with label diff_H_26-O_45 
PLUMED:    scalar with label diff_H_16-O_24 
PLUMED:    scalar with label diff_H_98-O_115 
PLUMED:    scalar with label diff_H_57-O_72 
PLUMED:    scalar with label diff_H_74-O_96 
PLUMED:   with coefficients: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED:   with parameters: 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED: Action CENTER
PLUMED:   with label SC1
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1
PLUMED:   added component to this action:  SC1.x 
PLUMED:   added component to this action:  SC1.y 
PLUMED:   added component to this action:  SC1.z 
PLUMED:   added component to this action:  SC1.mass 
PLUMED:   added component to this action:  SC1.charge 
PLUMED:   of atoms:
PLUMED:  7 10 11 12
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2
PLUMED:   added component to this action:  SC2.x 
PLUMED:   added component to this action:  SC2.y 
PLUMED:   added component to this action:  SC2.z 
PLUMED:   added component to this action:  SC2.mass 
PLUMED:   added component to this action:  SC2.charge 
PLUMED:   of atoms:
PLUMED:  19
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3
PLUMED:   added component to this action:  SC3.x 
PLUMED:   added component to this action:  SC3.y 
PLUMED:   added component to this action:  SC3.z 
PLUMED:   added component to this action:  SC3.mass 
PLUMED:   added component to this action:  SC3.charge 
PLUMED:   of atoms:
PLUMED:  29 32 33 35 37 38 40 42
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC4
PLUMED: Action CENTER_FAST
PLUMED:   with label SC4
PLUMED:   added component to this action:  SC4.x 
PLUMED:   added component to this action:  SC4.y 
PLUMED:   added component to this action:  SC4.z 
PLUMED:   added component to this action:  SC4.mass 
PLUMED:   added component to this action:  SC4.charge 
PLUMED:   of atoms:
PLUMED:  50
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC5
PLUMED: Action CENTER_FAST
PLUMED:   with label SC5
PLUMED:   added component to this action:  SC5.x 
PLUMED:   added component to this action:  SC5.y 
PLUMED:   added component to this action:  SC5.z 
PLUMED:   added component to this action:  SC5.mass 
PLUMED:   added component to this action:  SC5.charge 
PLUMED:   of atoms:
PLUMED:  60 63 66 67 68
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC6
PLUMED: Action CENTER_FAST
PLUMED:   with label SC6
PLUMED:   added component to this action:  SC6.x 
PLUMED:   added component to this action:  SC6.y 
PLUMED:   added component to this action:  SC6.z 
PLUMED:   added component to this action:  SC6.mass 
PLUMED:   added component to this action:  SC6.charge 
PLUMED:   of atoms:
PLUMED:  77 80 81 83 85 86 88 90 92 94
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC7
PLUMED: Action CENTER_FAST
PLUMED:   with label SC7
PLUMED:   added component to this action:  SC7.x 
PLUMED:   added component to this action:  SC7.y 
PLUMED:   added component to this action:  SC7.z 
PLUMED:   added component to this action:  SC7.mass 
PLUMED:   added component to this action:  SC7.charge 
PLUMED:   of atoms:
PLUMED:  101 104 106 110
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC8
PLUMED: Action CENTER_FAST
PLUMED:   with label SC8
PLUMED:   added component to this action:  SC8.x 
PLUMED:   added component to this action:  SC8.y 
PLUMED:   added component to this action:  SC8.z 
PLUMED:   added component to this action:  SC8.mass 
PLUMED:   added component to this action:  SC8.charge 
PLUMED:   of atoms:
PLUMED:  120
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC9
PLUMED: Action CENTER_FAST
PLUMED:   with label SC9
PLUMED:   added component to this action:  SC9.x 
PLUMED:   added component to this action:  SC9.y 
PLUMED:   added component to this action:  SC9.z 
PLUMED:   added component to this action:  SC9.mass 
PLUMED:   added component to this action:  SC9.charge 
PLUMED:   of atoms:
PLUMED:  130 133 134 135
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC10
PLUMED: Action CENTER_FAST
PLUMED:   with label SC10
PLUMED:   added component to this action:  SC10.x 
PLUMED:   added component to this action:  SC10.y 
PLUMED:   added component to this action:  SC10.z 
PLUMED:   added component to this action:  SC10.mass 
PLUMED:   added component to this action:  SC10.charge 
PLUMED:   of atoms:
PLUMED:  140
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC11
PLUMED: Action CENTER_FAST
PLUMED:   with label SC11
PLUMED:   added component to this action:  SC11.x 
PLUMED:   added component to this action:  SC11.y 
PLUMED:   added component to this action:  SC11.z 
PLUMED:   added component to this action:  SC11.mass 
PLUMED:   added component to this action:  SC11.charge 
PLUMED:   of atoms:
PLUMED:  147
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC12
PLUMED: Action CENTER_FAST
PLUMED:   with label SC12
PLUMED:   added component to this action:  SC12.x 
PLUMED:   added component to this action:  SC12.y 
PLUMED:   added component to this action:  SC12.z 
PLUMED:   added component to this action:  SC12.mass 
PLUMED:   added component to this action:  SC12.charge 
PLUMED:   of atoms:
PLUMED:  153 156 159
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC13
PLUMED: Action CENTER_FAST
PLUMED:   with label SC13
PLUMED:   added component to this action:  SC13.x 
PLUMED:   added component to this action:  SC13.y 
PLUMED:   added component to this action:  SC13.z 
PLUMED:   added component to this action:  SC13.mass 
PLUMED:   added component to this action:  SC13.charge 
PLUMED:   of atoms:
PLUMED:  170 173
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC14
PLUMED: Action CENTER_FAST
PLUMED:   with label SC14
PLUMED:   added component to this action:  SC14.x 
PLUMED:   added component to this action:  SC14.y 
PLUMED:   added component to this action:  SC14.z 
PLUMED:   added component to this action:  SC14.mass 
PLUMED:   added component to this action:  SC14.charge 
PLUMED:   of atoms:
PLUMED:  181 184
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC15
PLUMED: Action CENTER_FAST
PLUMED:   with label SC15
PLUMED:   added component to this action:  SC15.x 
PLUMED:   added component to this action:  SC15.y 
PLUMED:   added component to this action:  SC15.z 
PLUMED:   added component to this action:  SC15.mass 
PLUMED:   added component to this action:  SC15.charge 
PLUMED:   of atoms:
PLUMED:  190
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC16
PLUMED: Action CENTER_FAST
PLUMED:   with label SC16
PLUMED:   added component to this action:  SC16.x 
PLUMED:   added component to this action:  SC16.y 
PLUMED:   added component to this action:  SC16.z 
PLUMED:   added component to this action:  SC16.mass 
PLUMED:   added component to this action:  SC16.charge 
PLUMED:   of atoms:
PLUMED:  199 202 205 208 210 211 214
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC17
PLUMED: Action CENTER_FAST
PLUMED:   with label SC17
PLUMED:   added component to this action:  SC17.x 
PLUMED:   added component to this action:  SC17.y 
PLUMED:   added component to this action:  SC17.z 
PLUMED:   added component to this action:  SC17.mass 
PLUMED:   added component to this action:  SC17.charge 
PLUMED:   of atoms:
PLUMED:  220 223 226
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC18
PLUMED:   added component to this action:  SC18.x 
PLUMED:   added component to this action:  SC18.y 
PLUMED:   added component to this action:  SC18.z 
PLUMED:   added component to this action:  SC18.mass 
PLUMED:   added component to this action:  SC18.charge 
PLUMED:   of atoms:
PLUMED:  234 237 240
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC19
PLUMED:   added component to this action:  SC19.x 
PLUMED:   added component to this action:  SC19.y 
PLUMED:   added component to this action:  SC19.z 
PLUMED:   added component to this action:  SC19.mass 
PLUMED:   added component to this action:  SC19.charge 
PLUMED:   of atoms:
PLUMED:  248 251 254
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC20
PLUMED:   added component to this action:  SC20.x 
PLUMED:   added component to this action:  SC20.y 
PLUMED:   added component to this action:  SC20.z 
PLUMED:   added component to this action:  SC20.mass 
PLUMED:   added component to this action:  SC20.charge 
PLUMED:   of atoms:
PLUMED:  265 268 272
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label contside1-3
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100057  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-4
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100058  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-5
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100059  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-6
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100060  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-7
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100061  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-8
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100062  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-9
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100063  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-10
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100064  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-11
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100065  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-12
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100066  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-13
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100067  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-14
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100068  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-15
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100069  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-16
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100070  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-17
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100071  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-18
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100072  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside1-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100055  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-4
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100058  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-5
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100059  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-6
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100060  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-7
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100061  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-8
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100062  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-9
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100063  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-10
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100064  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-11
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100065  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-12
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100066  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-13
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100067  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-14
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100068  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-15
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100069  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-16
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100070  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-17
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100071  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-18
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100072  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside2-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100056  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside3-5
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100057  
PLUMED:   second group:
PLUMED:   100059  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside3-6
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100057  
PLUMED:   second group:
PLUMED:   100060  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside3-7
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100057  
PLUMED:   second group:
PLUMED:   100061  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside3-8
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100057  
PLUMED:   second group:
PLUMED:   100062  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside3-9
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100057  
PLUMED:   second group:
PLUMED:   100063  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside3-10
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100057  
PLUMED:   second group:
PLUMED:   100064  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside3-11
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100057  
PLUMED:   second group:
PLUMED:   100065  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside3-12
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100057  
PLUMED:   second group:
PLUMED:   100066  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside3-13
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100057  
PLUMED:   second group:
PLUMED:   100067  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside3-14
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100057  
PLUMED:   second group:
PLUMED:   100068  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside3-15
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100057  
PLUMED:   second group:
PLUMED:   100069  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside3-16
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100057  
PLUMED:   second group:
PLUMED:   100070  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside3-17
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100057  
PLUMED:   second group:
PLUMED:   100071  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside3-18
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100057  
PLUMED:   second group:
PLUMED:   100072  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside3-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100057  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside3-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100057  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside4-6
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100058  
PLUMED:   second group:
PLUMED:   100060  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside4-7
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100058  
PLUMED:   second group:
PLUMED:   100061  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside4-8
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100058  
PLUMED:   second group:
PLUMED:   100062  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside4-9
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100058  
PLUMED:   second group:
PLUMED:   100063  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside4-10
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100058  
PLUMED:   second group:
PLUMED:   100064  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside4-11
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100058  
PLUMED:   second group:
PLUMED:   100065  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside4-12
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100058  
PLUMED:   second group:
PLUMED:   100066  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside4-13
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100058  
PLUMED:   second group:
PLUMED:   100067  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside4-14
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100058  
PLUMED:   second group:
PLUMED:   100068  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside4-15
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100058  
PLUMED:   second group:
PLUMED:   100069  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside4-16
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100058  
PLUMED:   second group:
PLUMED:   100070  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside4-17
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100058  
PLUMED:   second group:
PLUMED:   100071  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside4-18
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100058  
PLUMED:   second group:
PLUMED:   100072  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside4-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100058  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside4-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100058  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside5-7
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100059  
PLUMED:   second group:
PLUMED:   100061  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside5-8
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100059  
PLUMED:   second group:
PLUMED:   100062  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside5-9
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100059  
PLUMED:   second group:
PLUMED:   100063  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside5-10
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100059  
PLUMED:   second group:
PLUMED:   100064  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside5-11
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100059  
PLUMED:   second group:
PLUMED:   100065  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside5-12
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100059  
PLUMED:   second group:
PLUMED:   100066  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside5-13
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100059  
PLUMED:   second group:
PLUMED:   100067  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside5-14
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100059  
PLUMED:   second group:
PLUMED:   100068  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside5-15
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100059  
PLUMED:   second group:
PLUMED:   100069  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside5-16
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100059  
PLUMED:   second group:
PLUMED:   100070  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside5-17
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100059  
PLUMED:   second group:
PLUMED:   100071  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside5-18
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100059  
PLUMED:   second group:
PLUMED:   100072  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside5-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100059  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside5-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100059  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside6-8
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100060  
PLUMED:   second group:
PLUMED:   100062  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside6-9
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100060  
PLUMED:   second group:
PLUMED:   100063  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside6-10
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100060  
PLUMED:   second group:
PLUMED:   100064  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside6-11
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100060  
PLUMED:   second group:
PLUMED:   100065  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside6-12
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100060  
PLUMED:   second group:
PLUMED:   100066  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside6-13
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100060  
PLUMED:   second group:
PLUMED:   100067  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside6-14
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100060  
PLUMED:   second group:
PLUMED:   100068  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside6-15
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100060  
PLUMED:   second group:
PLUMED:   100069  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside6-16
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100060  
PLUMED:   second group:
PLUMED:   100070  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside6-17
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100060  
PLUMED:   second group:
PLUMED:   100071  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside6-18
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100060  
PLUMED:   second group:
PLUMED:   100072  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside6-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100060  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside6-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100060  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside7-9
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100061  
PLUMED:   second group:
PLUMED:   100063  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside7-10
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100061  
PLUMED:   second group:
PLUMED:   100064  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside7-11
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100061  
PLUMED:   second group:
PLUMED:   100065  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside7-12
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100061  
PLUMED:   second group:
PLUMED:   100066  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside7-13
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100061  
PLUMED:   second group:
PLUMED:   100067  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside7-14
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100061  
PLUMED:   second group:
PLUMED:   100068  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside7-15
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100061  
PLUMED:   second group:
PLUMED:   100069  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside7-16
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100061  
PLUMED:   second group:
PLUMED:   100070  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside7-17
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100061  
PLUMED:   second group:
PLUMED:   100071  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside7-18
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100061  
PLUMED:   second group:
PLUMED:   100072  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside7-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100061  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside7-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100061  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside8-10
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100062  
PLUMED:   second group:
PLUMED:   100064  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside8-11
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100062  
PLUMED:   second group:
PLUMED:   100065  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside8-12
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100062  
PLUMED:   second group:
PLUMED:   100066  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside8-13
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100062  
PLUMED:   second group:
PLUMED:   100067  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside8-14
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100062  
PLUMED:   second group:
PLUMED:   100068  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside8-15
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100062  
PLUMED:   second group:
PLUMED:   100069  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside8-16
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100062  
PLUMED:   second group:
PLUMED:   100070  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside8-17
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100062  
PLUMED:   second group:
PLUMED:   100071  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside8-18
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100062  
PLUMED:   second group:
PLUMED:   100072  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside8-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100062  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside8-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100062  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside9-11
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100063  
PLUMED:   second group:
PLUMED:   100065  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside9-12
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100063  
PLUMED:   second group:
PLUMED:   100066  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside9-13
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100063  
PLUMED:   second group:
PLUMED:   100067  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside9-14
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100063  
PLUMED:   second group:
PLUMED:   100068  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside9-15
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100063  
PLUMED:   second group:
PLUMED:   100069  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside9-16
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100063  
PLUMED:   second group:
PLUMED:   100070  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside9-17
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100063  
PLUMED:   second group:
PLUMED:   100071  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside9-18
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100063  
PLUMED:   second group:
PLUMED:   100072  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside9-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100063  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside9-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100063  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside10-12
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100064  
PLUMED:   second group:
PLUMED:   100066  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside10-13
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100064  
PLUMED:   second group:
PLUMED:   100067  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside10-14
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100064  
PLUMED:   second group:
PLUMED:   100068  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside10-15
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100064  
PLUMED:   second group:
PLUMED:   100069  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside10-16
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100064  
PLUMED:   second group:
PLUMED:   100070  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside10-17
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100064  
PLUMED:   second group:
PLUMED:   100071  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside10-18
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100064  
PLUMED:   second group:
PLUMED:   100072  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside10-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100064  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside10-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100064  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside11-13
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100065  
PLUMED:   second group:
PLUMED:   100067  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside11-14
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100065  
PLUMED:   second group:
PLUMED:   100068  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside11-15
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100065  
PLUMED:   second group:
PLUMED:   100069  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside11-16
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100065  
PLUMED:   second group:
PLUMED:   100070  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside11-17
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100065  
PLUMED:   second group:
PLUMED:   100071  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside11-18
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100065  
PLUMED:   second group:
PLUMED:   100072  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside11-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100065  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside11-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100065  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside12-14
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100066  
PLUMED:   second group:
PLUMED:   100068  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside12-15
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100066  
PLUMED:   second group:
PLUMED:   100069  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside12-16
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100066  
PLUMED:   second group:
PLUMED:   100070  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside12-17
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100066  
PLUMED:   second group:
PLUMED:   100071  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside12-18
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100066  
PLUMED:   second group:
PLUMED:   100072  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside12-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100066  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside12-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100066  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside13-15
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100067  
PLUMED:   second group:
PLUMED:   100069  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside13-16
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100067  
PLUMED:   second group:
PLUMED:   100070  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside13-17
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100067  
PLUMED:   second group:
PLUMED:   100071  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside13-18
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100067  
PLUMED:   second group:
PLUMED:   100072  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside13-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100067  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside13-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100067  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside14-16
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100068  
PLUMED:   second group:
PLUMED:   100070  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside14-17
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100068  
PLUMED:   second group:
PLUMED:   100071  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside14-18
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100068  
PLUMED:   second group:
PLUMED:   100072  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside14-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100068  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside14-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100068  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside15-17
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100069  
PLUMED:   second group:
PLUMED:   100071  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside15-18
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100069  
PLUMED:   second group:
PLUMED:   100072  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside15-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100069  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside15-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100069  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside16-18
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100070  
PLUMED:   second group:
PLUMED:   100072  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside16-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100070  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside16-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100070  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside17-19
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100071  
PLUMED:   second group:
PLUMED:   100073  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside17-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100071  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COORDINATION
PLUMED:   with label contside18-20
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   100072  
PLUMED:   second group:
PLUMED:   100074  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action CENTER
PLUMED:   with label SC1-3
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-3
PLUMED:   added component to this action:  SC1-3.x 
PLUMED:   added component to this action:  SC1-3.y 
PLUMED:   added component to this action:  SC1-3.z 
PLUMED:   added component to this action:  SC1-3.mass 
PLUMED:   added component to this action:  SC1-3.charge 
PLUMED:   of atoms:
PLUMED:  100055 100057
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-4
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-4
PLUMED:   added component to this action:  SC1-4.x 
PLUMED:   added component to this action:  SC1-4.y 
PLUMED:   added component to this action:  SC1-4.z 
PLUMED:   added component to this action:  SC1-4.mass 
PLUMED:   added component to this action:  SC1-4.charge 
PLUMED:   of atoms:
PLUMED:  100055 100058
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-5
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-5
PLUMED:   added component to this action:  SC1-5.x 
PLUMED:   added component to this action:  SC1-5.y 
PLUMED:   added component to this action:  SC1-5.z 
PLUMED:   added component to this action:  SC1-5.mass 
PLUMED:   added component to this action:  SC1-5.charge 
PLUMED:   of atoms:
PLUMED:  100055 100059
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-6
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-6
PLUMED:   added component to this action:  SC1-6.x 
PLUMED:   added component to this action:  SC1-6.y 
PLUMED:   added component to this action:  SC1-6.z 
PLUMED:   added component to this action:  SC1-6.mass 
PLUMED:   added component to this action:  SC1-6.charge 
PLUMED:   of atoms:
PLUMED:  100055 100060
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-7
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-7
PLUMED:   added component to this action:  SC1-7.x 
PLUMED:   added component to this action:  SC1-7.y 
PLUMED:   added component to this action:  SC1-7.z 
PLUMED:   added component to this action:  SC1-7.mass 
PLUMED:   added component to this action:  SC1-7.charge 
PLUMED:   of atoms:
PLUMED:  100055 100061
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-8
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-8
PLUMED:   added component to this action:  SC1-8.x 
PLUMED:   added component to this action:  SC1-8.y 
PLUMED:   added component to this action:  SC1-8.z 
PLUMED:   added component to this action:  SC1-8.mass 
PLUMED:   added component to this action:  SC1-8.charge 
PLUMED:   of atoms:
PLUMED:  100055 100062
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-9
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-9
PLUMED:   added component to this action:  SC1-9.x 
PLUMED:   added component to this action:  SC1-9.y 
PLUMED:   added component to this action:  SC1-9.z 
PLUMED:   added component to this action:  SC1-9.mass 
PLUMED:   added component to this action:  SC1-9.charge 
PLUMED:   of atoms:
PLUMED:  100055 100063
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-10
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-10
PLUMED:   added component to this action:  SC1-10.x 
PLUMED:   added component to this action:  SC1-10.y 
PLUMED:   added component to this action:  SC1-10.z 
PLUMED:   added component to this action:  SC1-10.mass 
PLUMED:   added component to this action:  SC1-10.charge 
PLUMED:   of atoms:
PLUMED:  100055 100064
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-11
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-11
PLUMED:   added component to this action:  SC1-11.x 
PLUMED:   added component to this action:  SC1-11.y 
PLUMED:   added component to this action:  SC1-11.z 
PLUMED:   added component to this action:  SC1-11.mass 
PLUMED:   added component to this action:  SC1-11.charge 
PLUMED:   of atoms:
PLUMED:  100055 100065
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-12
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-12
PLUMED:   added component to this action:  SC1-12.x 
PLUMED:   added component to this action:  SC1-12.y 
PLUMED:   added component to this action:  SC1-12.z 
PLUMED:   added component to this action:  SC1-12.mass 
PLUMED:   added component to this action:  SC1-12.charge 
PLUMED:   of atoms:
PLUMED:  100055 100066
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-13
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-13
PLUMED:   added component to this action:  SC1-13.x 
PLUMED:   added component to this action:  SC1-13.y 
PLUMED:   added component to this action:  SC1-13.z 
PLUMED:   added component to this action:  SC1-13.mass 
PLUMED:   added component to this action:  SC1-13.charge 
PLUMED:   of atoms:
PLUMED:  100055 100067
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-14
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-14
PLUMED:   added component to this action:  SC1-14.x 
PLUMED:   added component to this action:  SC1-14.y 
PLUMED:   added component to this action:  SC1-14.z 
PLUMED:   added component to this action:  SC1-14.mass 
PLUMED:   added component to this action:  SC1-14.charge 
PLUMED:   of atoms:
PLUMED:  100055 100068
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-15
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-15
PLUMED:   added component to this action:  SC1-15.x 
PLUMED:   added component to this action:  SC1-15.y 
PLUMED:   added component to this action:  SC1-15.z 
PLUMED:   added component to this action:  SC1-15.mass 
PLUMED:   added component to this action:  SC1-15.charge 
PLUMED:   of atoms:
PLUMED:  100055 100069
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-16
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-16
PLUMED:   added component to this action:  SC1-16.x 
PLUMED:   added component to this action:  SC1-16.y 
PLUMED:   added component to this action:  SC1-16.z 
PLUMED:   added component to this action:  SC1-16.mass 
PLUMED:   added component to this action:  SC1-16.charge 
PLUMED:   of atoms:
PLUMED:  100055 100070
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-17
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-17
PLUMED:   added component to this action:  SC1-17.x 
PLUMED:   added component to this action:  SC1-17.y 
PLUMED:   added component to this action:  SC1-17.z 
PLUMED:   added component to this action:  SC1-17.mass 
PLUMED:   added component to this action:  SC1-17.charge 
PLUMED:   of atoms:
PLUMED:  100055 100071
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-18
PLUMED:   added component to this action:  SC1-18.x 
PLUMED:   added component to this action:  SC1-18.y 
PLUMED:   added component to this action:  SC1-18.z 
PLUMED:   added component to this action:  SC1-18.mass 
PLUMED:   added component to this action:  SC1-18.charge 
PLUMED:   of atoms:
PLUMED:  100055 100072
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-19
PLUMED:   added component to this action:  SC1-19.x 
PLUMED:   added component to this action:  SC1-19.y 
PLUMED:   added component to this action:  SC1-19.z 
PLUMED:   added component to this action:  SC1-19.mass 
PLUMED:   added component to this action:  SC1-19.charge 
PLUMED:   of atoms:
PLUMED:  100055 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC1-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC1-20
PLUMED:   added component to this action:  SC1-20.x 
PLUMED:   added component to this action:  SC1-20.y 
PLUMED:   added component to this action:  SC1-20.z 
PLUMED:   added component to this action:  SC1-20.mass 
PLUMED:   added component to this action:  SC1-20.charge 
PLUMED:   of atoms:
PLUMED:  100055 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-4
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-4
PLUMED:   added component to this action:  SC2-4.x 
PLUMED:   added component to this action:  SC2-4.y 
PLUMED:   added component to this action:  SC2-4.z 
PLUMED:   added component to this action:  SC2-4.mass 
PLUMED:   added component to this action:  SC2-4.charge 
PLUMED:   of atoms:
PLUMED:  100056 100058
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-5
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-5
PLUMED:   added component to this action:  SC2-5.x 
PLUMED:   added component to this action:  SC2-5.y 
PLUMED:   added component to this action:  SC2-5.z 
PLUMED:   added component to this action:  SC2-5.mass 
PLUMED:   added component to this action:  SC2-5.charge 
PLUMED:   of atoms:
PLUMED:  100056 100059
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-6
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-6
PLUMED:   added component to this action:  SC2-6.x 
PLUMED:   added component to this action:  SC2-6.y 
PLUMED:   added component to this action:  SC2-6.z 
PLUMED:   added component to this action:  SC2-6.mass 
PLUMED:   added component to this action:  SC2-6.charge 
PLUMED:   of atoms:
PLUMED:  100056 100060
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-7
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-7
PLUMED:   added component to this action:  SC2-7.x 
PLUMED:   added component to this action:  SC2-7.y 
PLUMED:   added component to this action:  SC2-7.z 
PLUMED:   added component to this action:  SC2-7.mass 
PLUMED:   added component to this action:  SC2-7.charge 
PLUMED:   of atoms:
PLUMED:  100056 100061
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-8
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-8
PLUMED:   added component to this action:  SC2-8.x 
PLUMED:   added component to this action:  SC2-8.y 
PLUMED:   added component to this action:  SC2-8.z 
PLUMED:   added component to this action:  SC2-8.mass 
PLUMED:   added component to this action:  SC2-8.charge 
PLUMED:   of atoms:
PLUMED:  100056 100062
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-9
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-9
PLUMED:   added component to this action:  SC2-9.x 
PLUMED:   added component to this action:  SC2-9.y 
PLUMED:   added component to this action:  SC2-9.z 
PLUMED:   added component to this action:  SC2-9.mass 
PLUMED:   added component to this action:  SC2-9.charge 
PLUMED:   of atoms:
PLUMED:  100056 100063
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-10
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-10
PLUMED:   added component to this action:  SC2-10.x 
PLUMED:   added component to this action:  SC2-10.y 
PLUMED:   added component to this action:  SC2-10.z 
PLUMED:   added component to this action:  SC2-10.mass 
PLUMED:   added component to this action:  SC2-10.charge 
PLUMED:   of atoms:
PLUMED:  100056 100064
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-11
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-11
PLUMED:   added component to this action:  SC2-11.x 
PLUMED:   added component to this action:  SC2-11.y 
PLUMED:   added component to this action:  SC2-11.z 
PLUMED:   added component to this action:  SC2-11.mass 
PLUMED:   added component to this action:  SC2-11.charge 
PLUMED:   of atoms:
PLUMED:  100056 100065
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-12
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-12
PLUMED:   added component to this action:  SC2-12.x 
PLUMED:   added component to this action:  SC2-12.y 
PLUMED:   added component to this action:  SC2-12.z 
PLUMED:   added component to this action:  SC2-12.mass 
PLUMED:   added component to this action:  SC2-12.charge 
PLUMED:   of atoms:
PLUMED:  100056 100066
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-13
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-13
PLUMED:   added component to this action:  SC2-13.x 
PLUMED:   added component to this action:  SC2-13.y 
PLUMED:   added component to this action:  SC2-13.z 
PLUMED:   added component to this action:  SC2-13.mass 
PLUMED:   added component to this action:  SC2-13.charge 
PLUMED:   of atoms:
PLUMED:  100056 100067
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-14
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-14
PLUMED:   added component to this action:  SC2-14.x 
PLUMED:   added component to this action:  SC2-14.y 
PLUMED:   added component to this action:  SC2-14.z 
PLUMED:   added component to this action:  SC2-14.mass 
PLUMED:   added component to this action:  SC2-14.charge 
PLUMED:   of atoms:
PLUMED:  100056 100068
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-15
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-15
PLUMED:   added component to this action:  SC2-15.x 
PLUMED:   added component to this action:  SC2-15.y 
PLUMED:   added component to this action:  SC2-15.z 
PLUMED:   added component to this action:  SC2-15.mass 
PLUMED:   added component to this action:  SC2-15.charge 
PLUMED:   of atoms:
PLUMED:  100056 100069
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-16
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-16
PLUMED:   added component to this action:  SC2-16.x 
PLUMED:   added component to this action:  SC2-16.y 
PLUMED:   added component to this action:  SC2-16.z 
PLUMED:   added component to this action:  SC2-16.mass 
PLUMED:   added component to this action:  SC2-16.charge 
PLUMED:   of atoms:
PLUMED:  100056 100070
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-17
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-17
PLUMED:   added component to this action:  SC2-17.x 
PLUMED:   added component to this action:  SC2-17.y 
PLUMED:   added component to this action:  SC2-17.z 
PLUMED:   added component to this action:  SC2-17.mass 
PLUMED:   added component to this action:  SC2-17.charge 
PLUMED:   of atoms:
PLUMED:  100056 100071
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-18
PLUMED:   added component to this action:  SC2-18.x 
PLUMED:   added component to this action:  SC2-18.y 
PLUMED:   added component to this action:  SC2-18.z 
PLUMED:   added component to this action:  SC2-18.mass 
PLUMED:   added component to this action:  SC2-18.charge 
PLUMED:   of atoms:
PLUMED:  100056 100072
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-19
PLUMED:   added component to this action:  SC2-19.x 
PLUMED:   added component to this action:  SC2-19.y 
PLUMED:   added component to this action:  SC2-19.z 
PLUMED:   added component to this action:  SC2-19.mass 
PLUMED:   added component to this action:  SC2-19.charge 
PLUMED:   of atoms:
PLUMED:  100056 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC2-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC2-20
PLUMED:   added component to this action:  SC2-20.x 
PLUMED:   added component to this action:  SC2-20.y 
PLUMED:   added component to this action:  SC2-20.z 
PLUMED:   added component to this action:  SC2-20.mass 
PLUMED:   added component to this action:  SC2-20.charge 
PLUMED:   of atoms:
PLUMED:  100056 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3-5
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3-5
PLUMED:   added component to this action:  SC3-5.x 
PLUMED:   added component to this action:  SC3-5.y 
PLUMED:   added component to this action:  SC3-5.z 
PLUMED:   added component to this action:  SC3-5.mass 
PLUMED:   added component to this action:  SC3-5.charge 
PLUMED:   of atoms:
PLUMED:  100057 100059
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3-6
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3-6
PLUMED:   added component to this action:  SC3-6.x 
PLUMED:   added component to this action:  SC3-6.y 
PLUMED:   added component to this action:  SC3-6.z 
PLUMED:   added component to this action:  SC3-6.mass 
PLUMED:   added component to this action:  SC3-6.charge 
PLUMED:   of atoms:
PLUMED:  100057 100060
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3-7
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3-7
PLUMED:   added component to this action:  SC3-7.x 
PLUMED:   added component to this action:  SC3-7.y 
PLUMED:   added component to this action:  SC3-7.z 
PLUMED:   added component to this action:  SC3-7.mass 
PLUMED:   added component to this action:  SC3-7.charge 
PLUMED:   of atoms:
PLUMED:  100057 100061
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3-8
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3-8
PLUMED:   added component to this action:  SC3-8.x 
PLUMED:   added component to this action:  SC3-8.y 
PLUMED:   added component to this action:  SC3-8.z 
PLUMED:   added component to this action:  SC3-8.mass 
PLUMED:   added component to this action:  SC3-8.charge 
PLUMED:   of atoms:
PLUMED:  100057 100062
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3-9
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3-9
PLUMED:   added component to this action:  SC3-9.x 
PLUMED:   added component to this action:  SC3-9.y 
PLUMED:   added component to this action:  SC3-9.z 
PLUMED:   added component to this action:  SC3-9.mass 
PLUMED:   added component to this action:  SC3-9.charge 
PLUMED:   of atoms:
PLUMED:  100057 100063
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3-10
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3-10
PLUMED:   added component to this action:  SC3-10.x 
PLUMED:   added component to this action:  SC3-10.y 
PLUMED:   added component to this action:  SC3-10.z 
PLUMED:   added component to this action:  SC3-10.mass 
PLUMED:   added component to this action:  SC3-10.charge 
PLUMED:   of atoms:
PLUMED:  100057 100064
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3-11
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3-11
PLUMED:   added component to this action:  SC3-11.x 
PLUMED:   added component to this action:  SC3-11.y 
PLUMED:   added component to this action:  SC3-11.z 
PLUMED:   added component to this action:  SC3-11.mass 
PLUMED:   added component to this action:  SC3-11.charge 
PLUMED:   of atoms:
PLUMED:  100057 100065
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3-12
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3-12
PLUMED:   added component to this action:  SC3-12.x 
PLUMED:   added component to this action:  SC3-12.y 
PLUMED:   added component to this action:  SC3-12.z 
PLUMED:   added component to this action:  SC3-12.mass 
PLUMED:   added component to this action:  SC3-12.charge 
PLUMED:   of atoms:
PLUMED:  100057 100066
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3-13
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3-13
PLUMED:   added component to this action:  SC3-13.x 
PLUMED:   added component to this action:  SC3-13.y 
PLUMED:   added component to this action:  SC3-13.z 
PLUMED:   added component to this action:  SC3-13.mass 
PLUMED:   added component to this action:  SC3-13.charge 
PLUMED:   of atoms:
PLUMED:  100057 100067
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3-14
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3-14
PLUMED:   added component to this action:  SC3-14.x 
PLUMED:   added component to this action:  SC3-14.y 
PLUMED:   added component to this action:  SC3-14.z 
PLUMED:   added component to this action:  SC3-14.mass 
PLUMED:   added component to this action:  SC3-14.charge 
PLUMED:   of atoms:
PLUMED:  100057 100068
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3-15
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3-15
PLUMED:   added component to this action:  SC3-15.x 
PLUMED:   added component to this action:  SC3-15.y 
PLUMED:   added component to this action:  SC3-15.z 
PLUMED:   added component to this action:  SC3-15.mass 
PLUMED:   added component to this action:  SC3-15.charge 
PLUMED:   of atoms:
PLUMED:  100057 100069
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3-16
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3-16
PLUMED:   added component to this action:  SC3-16.x 
PLUMED:   added component to this action:  SC3-16.y 
PLUMED:   added component to this action:  SC3-16.z 
PLUMED:   added component to this action:  SC3-16.mass 
PLUMED:   added component to this action:  SC3-16.charge 
PLUMED:   of atoms:
PLUMED:  100057 100070
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3-17
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3-17
PLUMED:   added component to this action:  SC3-17.x 
PLUMED:   added component to this action:  SC3-17.y 
PLUMED:   added component to this action:  SC3-17.z 
PLUMED:   added component to this action:  SC3-17.mass 
PLUMED:   added component to this action:  SC3-17.charge 
PLUMED:   of atoms:
PLUMED:  100057 100071
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3-18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3-18
PLUMED:   added component to this action:  SC3-18.x 
PLUMED:   added component to this action:  SC3-18.y 
PLUMED:   added component to this action:  SC3-18.z 
PLUMED:   added component to this action:  SC3-18.mass 
PLUMED:   added component to this action:  SC3-18.charge 
PLUMED:   of atoms:
PLUMED:  100057 100072
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3-19
PLUMED:   added component to this action:  SC3-19.x 
PLUMED:   added component to this action:  SC3-19.y 
PLUMED:   added component to this action:  SC3-19.z 
PLUMED:   added component to this action:  SC3-19.mass 
PLUMED:   added component to this action:  SC3-19.charge 
PLUMED:   of atoms:
PLUMED:  100057 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC3-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC3-20
PLUMED:   added component to this action:  SC3-20.x 
PLUMED:   added component to this action:  SC3-20.y 
PLUMED:   added component to this action:  SC3-20.z 
PLUMED:   added component to this action:  SC3-20.mass 
PLUMED:   added component to this action:  SC3-20.charge 
PLUMED:   of atoms:
PLUMED:  100057 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC4-6
PLUMED: Action CENTER_FAST
PLUMED:   with label SC4-6
PLUMED:   added component to this action:  SC4-6.x 
PLUMED:   added component to this action:  SC4-6.y 
PLUMED:   added component to this action:  SC4-6.z 
PLUMED:   added component to this action:  SC4-6.mass 
PLUMED:   added component to this action:  SC4-6.charge 
PLUMED:   of atoms:
PLUMED:  100058 100060
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC4-7
PLUMED: Action CENTER_FAST
PLUMED:   with label SC4-7
PLUMED:   added component to this action:  SC4-7.x 
PLUMED:   added component to this action:  SC4-7.y 
PLUMED:   added component to this action:  SC4-7.z 
PLUMED:   added component to this action:  SC4-7.mass 
PLUMED:   added component to this action:  SC4-7.charge 
PLUMED:   of atoms:
PLUMED:  100058 100061
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC4-8
PLUMED: Action CENTER_FAST
PLUMED:   with label SC4-8
PLUMED:   added component to this action:  SC4-8.x 
PLUMED:   added component to this action:  SC4-8.y 
PLUMED:   added component to this action:  SC4-8.z 
PLUMED:   added component to this action:  SC4-8.mass 
PLUMED:   added component to this action:  SC4-8.charge 
PLUMED:   of atoms:
PLUMED:  100058 100062
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC4-9
PLUMED: Action CENTER_FAST
PLUMED:   with label SC4-9
PLUMED:   added component to this action:  SC4-9.x 
PLUMED:   added component to this action:  SC4-9.y 
PLUMED:   added component to this action:  SC4-9.z 
PLUMED:   added component to this action:  SC4-9.mass 
PLUMED:   added component to this action:  SC4-9.charge 
PLUMED:   of atoms:
PLUMED:  100058 100063
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC4-10
PLUMED: Action CENTER_FAST
PLUMED:   with label SC4-10
PLUMED:   added component to this action:  SC4-10.x 
PLUMED:   added component to this action:  SC4-10.y 
PLUMED:   added component to this action:  SC4-10.z 
PLUMED:   added component to this action:  SC4-10.mass 
PLUMED:   added component to this action:  SC4-10.charge 
PLUMED:   of atoms:
PLUMED:  100058 100064
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC4-11
PLUMED: Action CENTER_FAST
PLUMED:   with label SC4-11
PLUMED:   added component to this action:  SC4-11.x 
PLUMED:   added component to this action:  SC4-11.y 
PLUMED:   added component to this action:  SC4-11.z 
PLUMED:   added component to this action:  SC4-11.mass 
PLUMED:   added component to this action:  SC4-11.charge 
PLUMED:   of atoms:
PLUMED:  100058 100065
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC4-12
PLUMED: Action CENTER_FAST
PLUMED:   with label SC4-12
PLUMED:   added component to this action:  SC4-12.x 
PLUMED:   added component to this action:  SC4-12.y 
PLUMED:   added component to this action:  SC4-12.z 
PLUMED:   added component to this action:  SC4-12.mass 
PLUMED:   added component to this action:  SC4-12.charge 
PLUMED:   of atoms:
PLUMED:  100058 100066
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC4-13
PLUMED: Action CENTER_FAST
PLUMED:   with label SC4-13
PLUMED:   added component to this action:  SC4-13.x 
PLUMED:   added component to this action:  SC4-13.y 
PLUMED:   added component to this action:  SC4-13.z 
PLUMED:   added component to this action:  SC4-13.mass 
PLUMED:   added component to this action:  SC4-13.charge 
PLUMED:   of atoms:
PLUMED:  100058 100067
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC4-14
PLUMED: Action CENTER_FAST
PLUMED:   with label SC4-14
PLUMED:   added component to this action:  SC4-14.x 
PLUMED:   added component to this action:  SC4-14.y 
PLUMED:   added component to this action:  SC4-14.z 
PLUMED:   added component to this action:  SC4-14.mass 
PLUMED:   added component to this action:  SC4-14.charge 
PLUMED:   of atoms:
PLUMED:  100058 100068
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC4-15
PLUMED: Action CENTER_FAST
PLUMED:   with label SC4-15
PLUMED:   added component to this action:  SC4-15.x 
PLUMED:   added component to this action:  SC4-15.y 
PLUMED:   added component to this action:  SC4-15.z 
PLUMED:   added component to this action:  SC4-15.mass 
PLUMED:   added component to this action:  SC4-15.charge 
PLUMED:   of atoms:
PLUMED:  100058 100069
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC4-16
PLUMED: Action CENTER_FAST
PLUMED:   with label SC4-16
PLUMED:   added component to this action:  SC4-16.x 
PLUMED:   added component to this action:  SC4-16.y 
PLUMED:   added component to this action:  SC4-16.z 
PLUMED:   added component to this action:  SC4-16.mass 
PLUMED:   added component to this action:  SC4-16.charge 
PLUMED:   of atoms:
PLUMED:  100058 100070
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC4-17
PLUMED: Action CENTER_FAST
PLUMED:   with label SC4-17
PLUMED:   added component to this action:  SC4-17.x 
PLUMED:   added component to this action:  SC4-17.y 
PLUMED:   added component to this action:  SC4-17.z 
PLUMED:   added component to this action:  SC4-17.mass 
PLUMED:   added component to this action:  SC4-17.charge 
PLUMED:   of atoms:
PLUMED:  100058 100071
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC4-18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC4-18
PLUMED:   added component to this action:  SC4-18.x 
PLUMED:   added component to this action:  SC4-18.y 
PLUMED:   added component to this action:  SC4-18.z 
PLUMED:   added component to this action:  SC4-18.mass 
PLUMED:   added component to this action:  SC4-18.charge 
PLUMED:   of atoms:
PLUMED:  100058 100072
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC4-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC4-19
PLUMED:   added component to this action:  SC4-19.x 
PLUMED:   added component to this action:  SC4-19.y 
PLUMED:   added component to this action:  SC4-19.z 
PLUMED:   added component to this action:  SC4-19.mass 
PLUMED:   added component to this action:  SC4-19.charge 
PLUMED:   of atoms:
PLUMED:  100058 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC4-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC4-20
PLUMED:   added component to this action:  SC4-20.x 
PLUMED:   added component to this action:  SC4-20.y 
PLUMED:   added component to this action:  SC4-20.z 
PLUMED:   added component to this action:  SC4-20.mass 
PLUMED:   added component to this action:  SC4-20.charge 
PLUMED:   of atoms:
PLUMED:  100058 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC5-7
PLUMED: Action CENTER_FAST
PLUMED:   with label SC5-7
PLUMED:   added component to this action:  SC5-7.x 
PLUMED:   added component to this action:  SC5-7.y 
PLUMED:   added component to this action:  SC5-7.z 
PLUMED:   added component to this action:  SC5-7.mass 
PLUMED:   added component to this action:  SC5-7.charge 
PLUMED:   of atoms:
PLUMED:  100059 100061
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC5-8
PLUMED: Action CENTER_FAST
PLUMED:   with label SC5-8
PLUMED:   added component to this action:  SC5-8.x 
PLUMED:   added component to this action:  SC5-8.y 
PLUMED:   added component to this action:  SC5-8.z 
PLUMED:   added component to this action:  SC5-8.mass 
PLUMED:   added component to this action:  SC5-8.charge 
PLUMED:   of atoms:
PLUMED:  100059 100062
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC5-9
PLUMED: Action CENTER_FAST
PLUMED:   with label SC5-9
PLUMED:   added component to this action:  SC5-9.x 
PLUMED:   added component to this action:  SC5-9.y 
PLUMED:   added component to this action:  SC5-9.z 
PLUMED:   added component to this action:  SC5-9.mass 
PLUMED:   added component to this action:  SC5-9.charge 
PLUMED:   of atoms:
PLUMED:  100059 100063
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC5-10
PLUMED: Action CENTER_FAST
PLUMED:   with label SC5-10
PLUMED:   added component to this action:  SC5-10.x 
PLUMED:   added component to this action:  SC5-10.y 
PLUMED:   added component to this action:  SC5-10.z 
PLUMED:   added component to this action:  SC5-10.mass 
PLUMED:   added component to this action:  SC5-10.charge 
PLUMED:   of atoms:
PLUMED:  100059 100064
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC5-11
PLUMED: Action CENTER_FAST
PLUMED:   with label SC5-11
PLUMED:   added component to this action:  SC5-11.x 
PLUMED:   added component to this action:  SC5-11.y 
PLUMED:   added component to this action:  SC5-11.z 
PLUMED:   added component to this action:  SC5-11.mass 
PLUMED:   added component to this action:  SC5-11.charge 
PLUMED:   of atoms:
PLUMED:  100059 100065
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC5-12
PLUMED: Action CENTER_FAST
PLUMED:   with label SC5-12
PLUMED:   added component to this action:  SC5-12.x 
PLUMED:   added component to this action:  SC5-12.y 
PLUMED:   added component to this action:  SC5-12.z 
PLUMED:   added component to this action:  SC5-12.mass 
PLUMED:   added component to this action:  SC5-12.charge 
PLUMED:   of atoms:
PLUMED:  100059 100066
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC5-13
PLUMED: Action CENTER_FAST
PLUMED:   with label SC5-13
PLUMED:   added component to this action:  SC5-13.x 
PLUMED:   added component to this action:  SC5-13.y 
PLUMED:   added component to this action:  SC5-13.z 
PLUMED:   added component to this action:  SC5-13.mass 
PLUMED:   added component to this action:  SC5-13.charge 
PLUMED:   of atoms:
PLUMED:  100059 100067
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC5-14
PLUMED: Action CENTER_FAST
PLUMED:   with label SC5-14
PLUMED:   added component to this action:  SC5-14.x 
PLUMED:   added component to this action:  SC5-14.y 
PLUMED:   added component to this action:  SC5-14.z 
PLUMED:   added component to this action:  SC5-14.mass 
PLUMED:   added component to this action:  SC5-14.charge 
PLUMED:   of atoms:
PLUMED:  100059 100068
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC5-15
PLUMED: Action CENTER_FAST
PLUMED:   with label SC5-15
PLUMED:   added component to this action:  SC5-15.x 
PLUMED:   added component to this action:  SC5-15.y 
PLUMED:   added component to this action:  SC5-15.z 
PLUMED:   added component to this action:  SC5-15.mass 
PLUMED:   added component to this action:  SC5-15.charge 
PLUMED:   of atoms:
PLUMED:  100059 100069
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC5-16
PLUMED: Action CENTER_FAST
PLUMED:   with label SC5-16
PLUMED:   added component to this action:  SC5-16.x 
PLUMED:   added component to this action:  SC5-16.y 
PLUMED:   added component to this action:  SC5-16.z 
PLUMED:   added component to this action:  SC5-16.mass 
PLUMED:   added component to this action:  SC5-16.charge 
PLUMED:   of atoms:
PLUMED:  100059 100070
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC5-17
PLUMED: Action CENTER_FAST
PLUMED:   with label SC5-17
PLUMED:   added component to this action:  SC5-17.x 
PLUMED:   added component to this action:  SC5-17.y 
PLUMED:   added component to this action:  SC5-17.z 
PLUMED:   added component to this action:  SC5-17.mass 
PLUMED:   added component to this action:  SC5-17.charge 
PLUMED:   of atoms:
PLUMED:  100059 100071
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC5-18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC5-18
PLUMED:   added component to this action:  SC5-18.x 
PLUMED:   added component to this action:  SC5-18.y 
PLUMED:   added component to this action:  SC5-18.z 
PLUMED:   added component to this action:  SC5-18.mass 
PLUMED:   added component to this action:  SC5-18.charge 
PLUMED:   of atoms:
PLUMED:  100059 100072
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC5-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC5-19
PLUMED:   added component to this action:  SC5-19.x 
PLUMED:   added component to this action:  SC5-19.y 
PLUMED:   added component to this action:  SC5-19.z 
PLUMED:   added component to this action:  SC5-19.mass 
PLUMED:   added component to this action:  SC5-19.charge 
PLUMED:   of atoms:
PLUMED:  100059 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC5-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC5-20
PLUMED:   added component to this action:  SC5-20.x 
PLUMED:   added component to this action:  SC5-20.y 
PLUMED:   added component to this action:  SC5-20.z 
PLUMED:   added component to this action:  SC5-20.mass 
PLUMED:   added component to this action:  SC5-20.charge 
PLUMED:   of atoms:
PLUMED:  100059 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC6-8
PLUMED: Action CENTER_FAST
PLUMED:   with label SC6-8
PLUMED:   added component to this action:  SC6-8.x 
PLUMED:   added component to this action:  SC6-8.y 
PLUMED:   added component to this action:  SC6-8.z 
PLUMED:   added component to this action:  SC6-8.mass 
PLUMED:   added component to this action:  SC6-8.charge 
PLUMED:   of atoms:
PLUMED:  100060 100062
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC6-9
PLUMED: Action CENTER_FAST
PLUMED:   with label SC6-9
PLUMED:   added component to this action:  SC6-9.x 
PLUMED:   added component to this action:  SC6-9.y 
PLUMED:   added component to this action:  SC6-9.z 
PLUMED:   added component to this action:  SC6-9.mass 
PLUMED:   added component to this action:  SC6-9.charge 
PLUMED:   of atoms:
PLUMED:  100060 100063
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC6-10
PLUMED: Action CENTER_FAST
PLUMED:   with label SC6-10
PLUMED:   added component to this action:  SC6-10.x 
PLUMED:   added component to this action:  SC6-10.y 
PLUMED:   added component to this action:  SC6-10.z 
PLUMED:   added component to this action:  SC6-10.mass 
PLUMED:   added component to this action:  SC6-10.charge 
PLUMED:   of atoms:
PLUMED:  100060 100064
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC6-11
PLUMED: Action CENTER_FAST
PLUMED:   with label SC6-11
PLUMED:   added component to this action:  SC6-11.x 
PLUMED:   added component to this action:  SC6-11.y 
PLUMED:   added component to this action:  SC6-11.z 
PLUMED:   added component to this action:  SC6-11.mass 
PLUMED:   added component to this action:  SC6-11.charge 
PLUMED:   of atoms:
PLUMED:  100060 100065
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC6-12
PLUMED: Action CENTER_FAST
PLUMED:   with label SC6-12
PLUMED:   added component to this action:  SC6-12.x 
PLUMED:   added component to this action:  SC6-12.y 
PLUMED:   added component to this action:  SC6-12.z 
PLUMED:   added component to this action:  SC6-12.mass 
PLUMED:   added component to this action:  SC6-12.charge 
PLUMED:   of atoms:
PLUMED:  100060 100066
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC6-13
PLUMED: Action CENTER_FAST
PLUMED:   with label SC6-13
PLUMED:   added component to this action:  SC6-13.x 
PLUMED:   added component to this action:  SC6-13.y 
PLUMED:   added component to this action:  SC6-13.z 
PLUMED:   added component to this action:  SC6-13.mass 
PLUMED:   added component to this action:  SC6-13.charge 
PLUMED:   of atoms:
PLUMED:  100060 100067
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC6-14
PLUMED: Action CENTER_FAST
PLUMED:   with label SC6-14
PLUMED:   added component to this action:  SC6-14.x 
PLUMED:   added component to this action:  SC6-14.y 
PLUMED:   added component to this action:  SC6-14.z 
PLUMED:   added component to this action:  SC6-14.mass 
PLUMED:   added component to this action:  SC6-14.charge 
PLUMED:   of atoms:
PLUMED:  100060 100068
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC6-15
PLUMED: Action CENTER_FAST
PLUMED:   with label SC6-15
PLUMED:   added component to this action:  SC6-15.x 
PLUMED:   added component to this action:  SC6-15.y 
PLUMED:   added component to this action:  SC6-15.z 
PLUMED:   added component to this action:  SC6-15.mass 
PLUMED:   added component to this action:  SC6-15.charge 
PLUMED:   of atoms:
PLUMED:  100060 100069
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC6-16
PLUMED: Action CENTER_FAST
PLUMED:   with label SC6-16
PLUMED:   added component to this action:  SC6-16.x 
PLUMED:   added component to this action:  SC6-16.y 
PLUMED:   added component to this action:  SC6-16.z 
PLUMED:   added component to this action:  SC6-16.mass 
PLUMED:   added component to this action:  SC6-16.charge 
PLUMED:   of atoms:
PLUMED:  100060 100070
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC6-17
PLUMED: Action CENTER_FAST
PLUMED:   with label SC6-17
PLUMED:   added component to this action:  SC6-17.x 
PLUMED:   added component to this action:  SC6-17.y 
PLUMED:   added component to this action:  SC6-17.z 
PLUMED:   added component to this action:  SC6-17.mass 
PLUMED:   added component to this action:  SC6-17.charge 
PLUMED:   of atoms:
PLUMED:  100060 100071
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC6-18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC6-18
PLUMED:   added component to this action:  SC6-18.x 
PLUMED:   added component to this action:  SC6-18.y 
PLUMED:   added component to this action:  SC6-18.z 
PLUMED:   added component to this action:  SC6-18.mass 
PLUMED:   added component to this action:  SC6-18.charge 
PLUMED:   of atoms:
PLUMED:  100060 100072
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC6-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC6-19
PLUMED:   added component to this action:  SC6-19.x 
PLUMED:   added component to this action:  SC6-19.y 
PLUMED:   added component to this action:  SC6-19.z 
PLUMED:   added component to this action:  SC6-19.mass 
PLUMED:   added component to this action:  SC6-19.charge 
PLUMED:   of atoms:
PLUMED:  100060 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC6-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC6-20
PLUMED:   added component to this action:  SC6-20.x 
PLUMED:   added component to this action:  SC6-20.y 
PLUMED:   added component to this action:  SC6-20.z 
PLUMED:   added component to this action:  SC6-20.mass 
PLUMED:   added component to this action:  SC6-20.charge 
PLUMED:   of atoms:
PLUMED:  100060 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC7-9
PLUMED: Action CENTER_FAST
PLUMED:   with label SC7-9
PLUMED:   added component to this action:  SC7-9.x 
PLUMED:   added component to this action:  SC7-9.y 
PLUMED:   added component to this action:  SC7-9.z 
PLUMED:   added component to this action:  SC7-9.mass 
PLUMED:   added component to this action:  SC7-9.charge 
PLUMED:   of atoms:
PLUMED:  100061 100063
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC7-10
PLUMED: Action CENTER_FAST
PLUMED:   with label SC7-10
PLUMED:   added component to this action:  SC7-10.x 
PLUMED:   added component to this action:  SC7-10.y 
PLUMED:   added component to this action:  SC7-10.z 
PLUMED:   added component to this action:  SC7-10.mass 
PLUMED:   added component to this action:  SC7-10.charge 
PLUMED:   of atoms:
PLUMED:  100061 100064
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC7-11
PLUMED: Action CENTER_FAST
PLUMED:   with label SC7-11
PLUMED:   added component to this action:  SC7-11.x 
PLUMED:   added component to this action:  SC7-11.y 
PLUMED:   added component to this action:  SC7-11.z 
PLUMED:   added component to this action:  SC7-11.mass 
PLUMED:   added component to this action:  SC7-11.charge 
PLUMED:   of atoms:
PLUMED:  100061 100065
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC7-12
PLUMED: Action CENTER_FAST
PLUMED:   with label SC7-12
PLUMED:   added component to this action:  SC7-12.x 
PLUMED:   added component to this action:  SC7-12.y 
PLUMED:   added component to this action:  SC7-12.z 
PLUMED:   added component to this action:  SC7-12.mass 
PLUMED:   added component to this action:  SC7-12.charge 
PLUMED:   of atoms:
PLUMED:  100061 100066
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC7-13
PLUMED: Action CENTER_FAST
PLUMED:   with label SC7-13
PLUMED:   added component to this action:  SC7-13.x 
PLUMED:   added component to this action:  SC7-13.y 
PLUMED:   added component to this action:  SC7-13.z 
PLUMED:   added component to this action:  SC7-13.mass 
PLUMED:   added component to this action:  SC7-13.charge 
PLUMED:   of atoms:
PLUMED:  100061 100067
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC7-14
PLUMED: Action CENTER_FAST
PLUMED:   with label SC7-14
PLUMED:   added component to this action:  SC7-14.x 
PLUMED:   added component to this action:  SC7-14.y 
PLUMED:   added component to this action:  SC7-14.z 
PLUMED:   added component to this action:  SC7-14.mass 
PLUMED:   added component to this action:  SC7-14.charge 
PLUMED:   of atoms:
PLUMED:  100061 100068
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC7-15
PLUMED: Action CENTER_FAST
PLUMED:   with label SC7-15
PLUMED:   added component to this action:  SC7-15.x 
PLUMED:   added component to this action:  SC7-15.y 
PLUMED:   added component to this action:  SC7-15.z 
PLUMED:   added component to this action:  SC7-15.mass 
PLUMED:   added component to this action:  SC7-15.charge 
PLUMED:   of atoms:
PLUMED:  100061 100069
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC7-16
PLUMED: Action CENTER_FAST
PLUMED:   with label SC7-16
PLUMED:   added component to this action:  SC7-16.x 
PLUMED:   added component to this action:  SC7-16.y 
PLUMED:   added component to this action:  SC7-16.z 
PLUMED:   added component to this action:  SC7-16.mass 
PLUMED:   added component to this action:  SC7-16.charge 
PLUMED:   of atoms:
PLUMED:  100061 100070
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC7-17
PLUMED: Action CENTER_FAST
PLUMED:   with label SC7-17
PLUMED:   added component to this action:  SC7-17.x 
PLUMED:   added component to this action:  SC7-17.y 
PLUMED:   added component to this action:  SC7-17.z 
PLUMED:   added component to this action:  SC7-17.mass 
PLUMED:   added component to this action:  SC7-17.charge 
PLUMED:   of atoms:
PLUMED:  100061 100071
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC7-18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC7-18
PLUMED:   added component to this action:  SC7-18.x 
PLUMED:   added component to this action:  SC7-18.y 
PLUMED:   added component to this action:  SC7-18.z 
PLUMED:   added component to this action:  SC7-18.mass 
PLUMED:   added component to this action:  SC7-18.charge 
PLUMED:   of atoms:
PLUMED:  100061 100072
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC7-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC7-19
PLUMED:   added component to this action:  SC7-19.x 
PLUMED:   added component to this action:  SC7-19.y 
PLUMED:   added component to this action:  SC7-19.z 
PLUMED:   added component to this action:  SC7-19.mass 
PLUMED:   added component to this action:  SC7-19.charge 
PLUMED:   of atoms:
PLUMED:  100061 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC7-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC7-20
PLUMED:   added component to this action:  SC7-20.x 
PLUMED:   added component to this action:  SC7-20.y 
PLUMED:   added component to this action:  SC7-20.z 
PLUMED:   added component to this action:  SC7-20.mass 
PLUMED:   added component to this action:  SC7-20.charge 
PLUMED:   of atoms:
PLUMED:  100061 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC8-10
PLUMED: Action CENTER_FAST
PLUMED:   with label SC8-10
PLUMED:   added component to this action:  SC8-10.x 
PLUMED:   added component to this action:  SC8-10.y 
PLUMED:   added component to this action:  SC8-10.z 
PLUMED:   added component to this action:  SC8-10.mass 
PLUMED:   added component to this action:  SC8-10.charge 
PLUMED:   of atoms:
PLUMED:  100062 100064
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC8-11
PLUMED: Action CENTER_FAST
PLUMED:   with label SC8-11
PLUMED:   added component to this action:  SC8-11.x 
PLUMED:   added component to this action:  SC8-11.y 
PLUMED:   added component to this action:  SC8-11.z 
PLUMED:   added component to this action:  SC8-11.mass 
PLUMED:   added component to this action:  SC8-11.charge 
PLUMED:   of atoms:
PLUMED:  100062 100065
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC8-12
PLUMED: Action CENTER_FAST
PLUMED:   with label SC8-12
PLUMED:   added component to this action:  SC8-12.x 
PLUMED:   added component to this action:  SC8-12.y 
PLUMED:   added component to this action:  SC8-12.z 
PLUMED:   added component to this action:  SC8-12.mass 
PLUMED:   added component to this action:  SC8-12.charge 
PLUMED:   of atoms:
PLUMED:  100062 100066
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC8-13
PLUMED: Action CENTER_FAST
PLUMED:   with label SC8-13
PLUMED:   added component to this action:  SC8-13.x 
PLUMED:   added component to this action:  SC8-13.y 
PLUMED:   added component to this action:  SC8-13.z 
PLUMED:   added component to this action:  SC8-13.mass 
PLUMED:   added component to this action:  SC8-13.charge 
PLUMED:   of atoms:
PLUMED:  100062 100067
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC8-14
PLUMED: Action CENTER_FAST
PLUMED:   with label SC8-14
PLUMED:   added component to this action:  SC8-14.x 
PLUMED:   added component to this action:  SC8-14.y 
PLUMED:   added component to this action:  SC8-14.z 
PLUMED:   added component to this action:  SC8-14.mass 
PLUMED:   added component to this action:  SC8-14.charge 
PLUMED:   of atoms:
PLUMED:  100062 100068
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC8-15
PLUMED: Action CENTER_FAST
PLUMED:   with label SC8-15
PLUMED:   added component to this action:  SC8-15.x 
PLUMED:   added component to this action:  SC8-15.y 
PLUMED:   added component to this action:  SC8-15.z 
PLUMED:   added component to this action:  SC8-15.mass 
PLUMED:   added component to this action:  SC8-15.charge 
PLUMED:   of atoms:
PLUMED:  100062 100069
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC8-16
PLUMED: Action CENTER_FAST
PLUMED:   with label SC8-16
PLUMED:   added component to this action:  SC8-16.x 
PLUMED:   added component to this action:  SC8-16.y 
PLUMED:   added component to this action:  SC8-16.z 
PLUMED:   added component to this action:  SC8-16.mass 
PLUMED:   added component to this action:  SC8-16.charge 
PLUMED:   of atoms:
PLUMED:  100062 100070
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC8-17
PLUMED: Action CENTER_FAST
PLUMED:   with label SC8-17
PLUMED:   added component to this action:  SC8-17.x 
PLUMED:   added component to this action:  SC8-17.y 
PLUMED:   added component to this action:  SC8-17.z 
PLUMED:   added component to this action:  SC8-17.mass 
PLUMED:   added component to this action:  SC8-17.charge 
PLUMED:   of atoms:
PLUMED:  100062 100071
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC8-18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC8-18
PLUMED:   added component to this action:  SC8-18.x 
PLUMED:   added component to this action:  SC8-18.y 
PLUMED:   added component to this action:  SC8-18.z 
PLUMED:   added component to this action:  SC8-18.mass 
PLUMED:   added component to this action:  SC8-18.charge 
PLUMED:   of atoms:
PLUMED:  100062 100072
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC8-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC8-19
PLUMED:   added component to this action:  SC8-19.x 
PLUMED:   added component to this action:  SC8-19.y 
PLUMED:   added component to this action:  SC8-19.z 
PLUMED:   added component to this action:  SC8-19.mass 
PLUMED:   added component to this action:  SC8-19.charge 
PLUMED:   of atoms:
PLUMED:  100062 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC8-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC8-20
PLUMED:   added component to this action:  SC8-20.x 
PLUMED:   added component to this action:  SC8-20.y 
PLUMED:   added component to this action:  SC8-20.z 
PLUMED:   added component to this action:  SC8-20.mass 
PLUMED:   added component to this action:  SC8-20.charge 
PLUMED:   of atoms:
PLUMED:  100062 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC9-11
PLUMED: Action CENTER_FAST
PLUMED:   with label SC9-11
PLUMED:   added component to this action:  SC9-11.x 
PLUMED:   added component to this action:  SC9-11.y 
PLUMED:   added component to this action:  SC9-11.z 
PLUMED:   added component to this action:  SC9-11.mass 
PLUMED:   added component to this action:  SC9-11.charge 
PLUMED:   of atoms:
PLUMED:  100063 100065
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC9-12
PLUMED: Action CENTER_FAST
PLUMED:   with label SC9-12
PLUMED:   added component to this action:  SC9-12.x 
PLUMED:   added component to this action:  SC9-12.y 
PLUMED:   added component to this action:  SC9-12.z 
PLUMED:   added component to this action:  SC9-12.mass 
PLUMED:   added component to this action:  SC9-12.charge 
PLUMED:   of atoms:
PLUMED:  100063 100066
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC9-13
PLUMED: Action CENTER_FAST
PLUMED:   with label SC9-13
PLUMED:   added component to this action:  SC9-13.x 
PLUMED:   added component to this action:  SC9-13.y 
PLUMED:   added component to this action:  SC9-13.z 
PLUMED:   added component to this action:  SC9-13.mass 
PLUMED:   added component to this action:  SC9-13.charge 
PLUMED:   of atoms:
PLUMED:  100063 100067
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC9-14
PLUMED: Action CENTER_FAST
PLUMED:   with label SC9-14
PLUMED:   added component to this action:  SC9-14.x 
PLUMED:   added component to this action:  SC9-14.y 
PLUMED:   added component to this action:  SC9-14.z 
PLUMED:   added component to this action:  SC9-14.mass 
PLUMED:   added component to this action:  SC9-14.charge 
PLUMED:   of atoms:
PLUMED:  100063 100068
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC9-15
PLUMED: Action CENTER_FAST
PLUMED:   with label SC9-15
PLUMED:   added component to this action:  SC9-15.x 
PLUMED:   added component to this action:  SC9-15.y 
PLUMED:   added component to this action:  SC9-15.z 
PLUMED:   added component to this action:  SC9-15.mass 
PLUMED:   added component to this action:  SC9-15.charge 
PLUMED:   of atoms:
PLUMED:  100063 100069
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC9-16
PLUMED: Action CENTER_FAST
PLUMED:   with label SC9-16
PLUMED:   added component to this action:  SC9-16.x 
PLUMED:   added component to this action:  SC9-16.y 
PLUMED:   added component to this action:  SC9-16.z 
PLUMED:   added component to this action:  SC9-16.mass 
PLUMED:   added component to this action:  SC9-16.charge 
PLUMED:   of atoms:
PLUMED:  100063 100070
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC9-17
PLUMED: Action CENTER_FAST
PLUMED:   with label SC9-17
PLUMED:   added component to this action:  SC9-17.x 
PLUMED:   added component to this action:  SC9-17.y 
PLUMED:   added component to this action:  SC9-17.z 
PLUMED:   added component to this action:  SC9-17.mass 
PLUMED:   added component to this action:  SC9-17.charge 
PLUMED:   of atoms:
PLUMED:  100063 100071
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC9-18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC9-18
PLUMED:   added component to this action:  SC9-18.x 
PLUMED:   added component to this action:  SC9-18.y 
PLUMED:   added component to this action:  SC9-18.z 
PLUMED:   added component to this action:  SC9-18.mass 
PLUMED:   added component to this action:  SC9-18.charge 
PLUMED:   of atoms:
PLUMED:  100063 100072
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC9-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC9-19
PLUMED:   added component to this action:  SC9-19.x 
PLUMED:   added component to this action:  SC9-19.y 
PLUMED:   added component to this action:  SC9-19.z 
PLUMED:   added component to this action:  SC9-19.mass 
PLUMED:   added component to this action:  SC9-19.charge 
PLUMED:   of atoms:
PLUMED:  100063 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC9-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC9-20
PLUMED:   added component to this action:  SC9-20.x 
PLUMED:   added component to this action:  SC9-20.y 
PLUMED:   added component to this action:  SC9-20.z 
PLUMED:   added component to this action:  SC9-20.mass 
PLUMED:   added component to this action:  SC9-20.charge 
PLUMED:   of atoms:
PLUMED:  100063 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC10-12
PLUMED: Action CENTER_FAST
PLUMED:   with label SC10-12
PLUMED:   added component to this action:  SC10-12.x 
PLUMED:   added component to this action:  SC10-12.y 
PLUMED:   added component to this action:  SC10-12.z 
PLUMED:   added component to this action:  SC10-12.mass 
PLUMED:   added component to this action:  SC10-12.charge 
PLUMED:   of atoms:
PLUMED:  100064 100066
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC10-13
PLUMED: Action CENTER_FAST
PLUMED:   with label SC10-13
PLUMED:   added component to this action:  SC10-13.x 
PLUMED:   added component to this action:  SC10-13.y 
PLUMED:   added component to this action:  SC10-13.z 
PLUMED:   added component to this action:  SC10-13.mass 
PLUMED:   added component to this action:  SC10-13.charge 
PLUMED:   of atoms:
PLUMED:  100064 100067
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC10-14
PLUMED: Action CENTER_FAST
PLUMED:   with label SC10-14
PLUMED:   added component to this action:  SC10-14.x 
PLUMED:   added component to this action:  SC10-14.y 
PLUMED:   added component to this action:  SC10-14.z 
PLUMED:   added component to this action:  SC10-14.mass 
PLUMED:   added component to this action:  SC10-14.charge 
PLUMED:   of atoms:
PLUMED:  100064 100068
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC10-15
PLUMED: Action CENTER_FAST
PLUMED:   with label SC10-15
PLUMED:   added component to this action:  SC10-15.x 
PLUMED:   added component to this action:  SC10-15.y 
PLUMED:   added component to this action:  SC10-15.z 
PLUMED:   added component to this action:  SC10-15.mass 
PLUMED:   added component to this action:  SC10-15.charge 
PLUMED:   of atoms:
PLUMED:  100064 100069
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC10-16
PLUMED: Action CENTER_FAST
PLUMED:   with label SC10-16
PLUMED:   added component to this action:  SC10-16.x 
PLUMED:   added component to this action:  SC10-16.y 
PLUMED:   added component to this action:  SC10-16.z 
PLUMED:   added component to this action:  SC10-16.mass 
PLUMED:   added component to this action:  SC10-16.charge 
PLUMED:   of atoms:
PLUMED:  100064 100070
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC10-17
PLUMED: Action CENTER_FAST
PLUMED:   with label SC10-17
PLUMED:   added component to this action:  SC10-17.x 
PLUMED:   added component to this action:  SC10-17.y 
PLUMED:   added component to this action:  SC10-17.z 
PLUMED:   added component to this action:  SC10-17.mass 
PLUMED:   added component to this action:  SC10-17.charge 
PLUMED:   of atoms:
PLUMED:  100064 100071
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC10-18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC10-18
PLUMED:   added component to this action:  SC10-18.x 
PLUMED:   added component to this action:  SC10-18.y 
PLUMED:   added component to this action:  SC10-18.z 
PLUMED:   added component to this action:  SC10-18.mass 
PLUMED:   added component to this action:  SC10-18.charge 
PLUMED:   of atoms:
PLUMED:  100064 100072
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC10-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC10-19
PLUMED:   added component to this action:  SC10-19.x 
PLUMED:   added component to this action:  SC10-19.y 
PLUMED:   added component to this action:  SC10-19.z 
PLUMED:   added component to this action:  SC10-19.mass 
PLUMED:   added component to this action:  SC10-19.charge 
PLUMED:   of atoms:
PLUMED:  100064 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC10-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC10-20
PLUMED:   added component to this action:  SC10-20.x 
PLUMED:   added component to this action:  SC10-20.y 
PLUMED:   added component to this action:  SC10-20.z 
PLUMED:   added component to this action:  SC10-20.mass 
PLUMED:   added component to this action:  SC10-20.charge 
PLUMED:   of atoms:
PLUMED:  100064 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC11-13
PLUMED: Action CENTER_FAST
PLUMED:   with label SC11-13
PLUMED:   added component to this action:  SC11-13.x 
PLUMED:   added component to this action:  SC11-13.y 
PLUMED:   added component to this action:  SC11-13.z 
PLUMED:   added component to this action:  SC11-13.mass 
PLUMED:   added component to this action:  SC11-13.charge 
PLUMED:   of atoms:
PLUMED:  100065 100067
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC11-14
PLUMED: Action CENTER_FAST
PLUMED:   with label SC11-14
PLUMED:   added component to this action:  SC11-14.x 
PLUMED:   added component to this action:  SC11-14.y 
PLUMED:   added component to this action:  SC11-14.z 
PLUMED:   added component to this action:  SC11-14.mass 
PLUMED:   added component to this action:  SC11-14.charge 
PLUMED:   of atoms:
PLUMED:  100065 100068
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC11-15
PLUMED: Action CENTER_FAST
PLUMED:   with label SC11-15
PLUMED:   added component to this action:  SC11-15.x 
PLUMED:   added component to this action:  SC11-15.y 
PLUMED:   added component to this action:  SC11-15.z 
PLUMED:   added component to this action:  SC11-15.mass 
PLUMED:   added component to this action:  SC11-15.charge 
PLUMED:   of atoms:
PLUMED:  100065 100069
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC11-16
PLUMED: Action CENTER_FAST
PLUMED:   with label SC11-16
PLUMED:   added component to this action:  SC11-16.x 
PLUMED:   added component to this action:  SC11-16.y 
PLUMED:   added component to this action:  SC11-16.z 
PLUMED:   added component to this action:  SC11-16.mass 
PLUMED:   added component to this action:  SC11-16.charge 
PLUMED:   of atoms:
PLUMED:  100065 100070
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC11-17
PLUMED: Action CENTER_FAST
PLUMED:   with label SC11-17
PLUMED:   added component to this action:  SC11-17.x 
PLUMED:   added component to this action:  SC11-17.y 
PLUMED:   added component to this action:  SC11-17.z 
PLUMED:   added component to this action:  SC11-17.mass 
PLUMED:   added component to this action:  SC11-17.charge 
PLUMED:   of atoms:
PLUMED:  100065 100071
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC11-18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC11-18
PLUMED:   added component to this action:  SC11-18.x 
PLUMED:   added component to this action:  SC11-18.y 
PLUMED:   added component to this action:  SC11-18.z 
PLUMED:   added component to this action:  SC11-18.mass 
PLUMED:   added component to this action:  SC11-18.charge 
PLUMED:   of atoms:
PLUMED:  100065 100072
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC11-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC11-19
PLUMED:   added component to this action:  SC11-19.x 
PLUMED:   added component to this action:  SC11-19.y 
PLUMED:   added component to this action:  SC11-19.z 
PLUMED:   added component to this action:  SC11-19.mass 
PLUMED:   added component to this action:  SC11-19.charge 
PLUMED:   of atoms:
PLUMED:  100065 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC11-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC11-20
PLUMED:   added component to this action:  SC11-20.x 
PLUMED:   added component to this action:  SC11-20.y 
PLUMED:   added component to this action:  SC11-20.z 
PLUMED:   added component to this action:  SC11-20.mass 
PLUMED:   added component to this action:  SC11-20.charge 
PLUMED:   of atoms:
PLUMED:  100065 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC12-14
PLUMED: Action CENTER_FAST
PLUMED:   with label SC12-14
PLUMED:   added component to this action:  SC12-14.x 
PLUMED:   added component to this action:  SC12-14.y 
PLUMED:   added component to this action:  SC12-14.z 
PLUMED:   added component to this action:  SC12-14.mass 
PLUMED:   added component to this action:  SC12-14.charge 
PLUMED:   of atoms:
PLUMED:  100066 100068
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC12-15
PLUMED: Action CENTER_FAST
PLUMED:   with label SC12-15
PLUMED:   added component to this action:  SC12-15.x 
PLUMED:   added component to this action:  SC12-15.y 
PLUMED:   added component to this action:  SC12-15.z 
PLUMED:   added component to this action:  SC12-15.mass 
PLUMED:   added component to this action:  SC12-15.charge 
PLUMED:   of atoms:
PLUMED:  100066 100069
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC12-16
PLUMED: Action CENTER_FAST
PLUMED:   with label SC12-16
PLUMED:   added component to this action:  SC12-16.x 
PLUMED:   added component to this action:  SC12-16.y 
PLUMED:   added component to this action:  SC12-16.z 
PLUMED:   added component to this action:  SC12-16.mass 
PLUMED:   added component to this action:  SC12-16.charge 
PLUMED:   of atoms:
PLUMED:  100066 100070
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC12-17
PLUMED: Action CENTER_FAST
PLUMED:   with label SC12-17
PLUMED:   added component to this action:  SC12-17.x 
PLUMED:   added component to this action:  SC12-17.y 
PLUMED:   added component to this action:  SC12-17.z 
PLUMED:   added component to this action:  SC12-17.mass 
PLUMED:   added component to this action:  SC12-17.charge 
PLUMED:   of atoms:
PLUMED:  100066 100071
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC12-18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC12-18
PLUMED:   added component to this action:  SC12-18.x 
PLUMED:   added component to this action:  SC12-18.y 
PLUMED:   added component to this action:  SC12-18.z 
PLUMED:   added component to this action:  SC12-18.mass 
PLUMED:   added component to this action:  SC12-18.charge 
PLUMED:   of atoms:
PLUMED:  100066 100072
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC12-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC12-19
PLUMED:   added component to this action:  SC12-19.x 
PLUMED:   added component to this action:  SC12-19.y 
PLUMED:   added component to this action:  SC12-19.z 
PLUMED:   added component to this action:  SC12-19.mass 
PLUMED:   added component to this action:  SC12-19.charge 
PLUMED:   of atoms:
PLUMED:  100066 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC12-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC12-20
PLUMED:   added component to this action:  SC12-20.x 
PLUMED:   added component to this action:  SC12-20.y 
PLUMED:   added component to this action:  SC12-20.z 
PLUMED:   added component to this action:  SC12-20.mass 
PLUMED:   added component to this action:  SC12-20.charge 
PLUMED:   of atoms:
PLUMED:  100066 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC13-15
PLUMED: Action CENTER_FAST
PLUMED:   with label SC13-15
PLUMED:   added component to this action:  SC13-15.x 
PLUMED:   added component to this action:  SC13-15.y 
PLUMED:   added component to this action:  SC13-15.z 
PLUMED:   added component to this action:  SC13-15.mass 
PLUMED:   added component to this action:  SC13-15.charge 
PLUMED:   of atoms:
PLUMED:  100067 100069
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC13-16
PLUMED: Action CENTER_FAST
PLUMED:   with label SC13-16
PLUMED:   added component to this action:  SC13-16.x 
PLUMED:   added component to this action:  SC13-16.y 
PLUMED:   added component to this action:  SC13-16.z 
PLUMED:   added component to this action:  SC13-16.mass 
PLUMED:   added component to this action:  SC13-16.charge 
PLUMED:   of atoms:
PLUMED:  100067 100070
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC13-17
PLUMED: Action CENTER_FAST
PLUMED:   with label SC13-17
PLUMED:   added component to this action:  SC13-17.x 
PLUMED:   added component to this action:  SC13-17.y 
PLUMED:   added component to this action:  SC13-17.z 
PLUMED:   added component to this action:  SC13-17.mass 
PLUMED:   added component to this action:  SC13-17.charge 
PLUMED:   of atoms:
PLUMED:  100067 100071
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC13-18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC13-18
PLUMED:   added component to this action:  SC13-18.x 
PLUMED:   added component to this action:  SC13-18.y 
PLUMED:   added component to this action:  SC13-18.z 
PLUMED:   added component to this action:  SC13-18.mass 
PLUMED:   added component to this action:  SC13-18.charge 
PLUMED:   of atoms:
PLUMED:  100067 100072
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC13-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC13-19
PLUMED:   added component to this action:  SC13-19.x 
PLUMED:   added component to this action:  SC13-19.y 
PLUMED:   added component to this action:  SC13-19.z 
PLUMED:   added component to this action:  SC13-19.mass 
PLUMED:   added component to this action:  SC13-19.charge 
PLUMED:   of atoms:
PLUMED:  100067 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC13-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC13-20
PLUMED:   added component to this action:  SC13-20.x 
PLUMED:   added component to this action:  SC13-20.y 
PLUMED:   added component to this action:  SC13-20.z 
PLUMED:   added component to this action:  SC13-20.mass 
PLUMED:   added component to this action:  SC13-20.charge 
PLUMED:   of atoms:
PLUMED:  100067 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC14-16
PLUMED: Action CENTER_FAST
PLUMED:   with label SC14-16
PLUMED:   added component to this action:  SC14-16.x 
PLUMED:   added component to this action:  SC14-16.y 
PLUMED:   added component to this action:  SC14-16.z 
PLUMED:   added component to this action:  SC14-16.mass 
PLUMED:   added component to this action:  SC14-16.charge 
PLUMED:   of atoms:
PLUMED:  100068 100070
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC14-17
PLUMED: Action CENTER_FAST
PLUMED:   with label SC14-17
PLUMED:   added component to this action:  SC14-17.x 
PLUMED:   added component to this action:  SC14-17.y 
PLUMED:   added component to this action:  SC14-17.z 
PLUMED:   added component to this action:  SC14-17.mass 
PLUMED:   added component to this action:  SC14-17.charge 
PLUMED:   of atoms:
PLUMED:  100068 100071
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC14-18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC14-18
PLUMED:   added component to this action:  SC14-18.x 
PLUMED:   added component to this action:  SC14-18.y 
PLUMED:   added component to this action:  SC14-18.z 
PLUMED:   added component to this action:  SC14-18.mass 
PLUMED:   added component to this action:  SC14-18.charge 
PLUMED:   of atoms:
PLUMED:  100068 100072
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC14-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC14-19
PLUMED:   added component to this action:  SC14-19.x 
PLUMED:   added component to this action:  SC14-19.y 
PLUMED:   added component to this action:  SC14-19.z 
PLUMED:   added component to this action:  SC14-19.mass 
PLUMED:   added component to this action:  SC14-19.charge 
PLUMED:   of atoms:
PLUMED:  100068 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC14-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC14-20
PLUMED:   added component to this action:  SC14-20.x 
PLUMED:   added component to this action:  SC14-20.y 
PLUMED:   added component to this action:  SC14-20.z 
PLUMED:   added component to this action:  SC14-20.mass 
PLUMED:   added component to this action:  SC14-20.charge 
PLUMED:   of atoms:
PLUMED:  100068 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC15-17
PLUMED: Action CENTER_FAST
PLUMED:   with label SC15-17
PLUMED:   added component to this action:  SC15-17.x 
PLUMED:   added component to this action:  SC15-17.y 
PLUMED:   added component to this action:  SC15-17.z 
PLUMED:   added component to this action:  SC15-17.mass 
PLUMED:   added component to this action:  SC15-17.charge 
PLUMED:   of atoms:
PLUMED:  100069 100071
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC15-18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC15-18
PLUMED:   added component to this action:  SC15-18.x 
PLUMED:   added component to this action:  SC15-18.y 
PLUMED:   added component to this action:  SC15-18.z 
PLUMED:   added component to this action:  SC15-18.mass 
PLUMED:   added component to this action:  SC15-18.charge 
PLUMED:   of atoms:
PLUMED:  100069 100072
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC15-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC15-19
PLUMED:   added component to this action:  SC15-19.x 
PLUMED:   added component to this action:  SC15-19.y 
PLUMED:   added component to this action:  SC15-19.z 
PLUMED:   added component to this action:  SC15-19.mass 
PLUMED:   added component to this action:  SC15-19.charge 
PLUMED:   of atoms:
PLUMED:  100069 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC15-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC15-20
PLUMED:   added component to this action:  SC15-20.x 
PLUMED:   added component to this action:  SC15-20.y 
PLUMED:   added component to this action:  SC15-20.z 
PLUMED:   added component to this action:  SC15-20.mass 
PLUMED:   added component to this action:  SC15-20.charge 
PLUMED:   of atoms:
PLUMED:  100069 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC16-18
PLUMED: Action CENTER_FAST
PLUMED:   with label SC16-18
PLUMED:   added component to this action:  SC16-18.x 
PLUMED:   added component to this action:  SC16-18.y 
PLUMED:   added component to this action:  SC16-18.z 
PLUMED:   added component to this action:  SC16-18.mass 
PLUMED:   added component to this action:  SC16-18.charge 
PLUMED:   of atoms:
PLUMED:  100070 100072
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC16-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC16-19
PLUMED:   added component to this action:  SC16-19.x 
PLUMED:   added component to this action:  SC16-19.y 
PLUMED:   added component to this action:  SC16-19.z 
PLUMED:   added component to this action:  SC16-19.mass 
PLUMED:   added component to this action:  SC16-19.charge 
PLUMED:   of atoms:
PLUMED:  100070 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC16-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC16-20
PLUMED:   added component to this action:  SC16-20.x 
PLUMED:   added component to this action:  SC16-20.y 
PLUMED:   added component to this action:  SC16-20.z 
PLUMED:   added component to this action:  SC16-20.mass 
PLUMED:   added component to this action:  SC16-20.charge 
PLUMED:   of atoms:
PLUMED:  100070 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC17-19
PLUMED: Action CENTER_FAST
PLUMED:   with label SC17-19
PLUMED:   added component to this action:  SC17-19.x 
PLUMED:   added component to this action:  SC17-19.y 
PLUMED:   added component to this action:  SC17-19.z 
PLUMED:   added component to this action:  SC17-19.mass 
PLUMED:   added component to this action:  SC17-19.charge 
PLUMED:   of atoms:
PLUMED:  100071 100073
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC17-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC17-20
PLUMED:   added component to this action:  SC17-20.x 
PLUMED:   added component to this action:  SC17-20.y 
PLUMED:   added component to this action:  SC17-20.z 
PLUMED:   added component to this action:  SC17-20.mass 
PLUMED:   added component to this action:  SC17-20.charge 
PLUMED:   of atoms:
PLUMED:  100071 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action CENTER
PLUMED:   with label SC18-20
PLUMED: Action CENTER_FAST
PLUMED:   with label SC18-20
PLUMED:   added component to this action:  SC18-20.x 
PLUMED:   added component to this action:  SC18-20.y 
PLUMED:   added component to this action:  SC18-20.z 
PLUMED:   added component to this action:  SC18-20.mass 
PLUMED:   added component to this action:  SC18-20.charge 
PLUMED:   of atoms:
PLUMED:  100072 100074
PLUMED:  using the geometric center
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC1-4
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100076  
PLUMED:   second group:
PLUMED:   100056  100057  100059  100060  100061  100062  100063  100064  100065  100066  100067  100068  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC1-4
PLUMED:   with arguments : 
PLUMED:    scalar with label contside1-4 
PLUMED:    scalar with label exc_SC1-4 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC2-5
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100094  
PLUMED:   second group:
PLUMED:   100055  100057  100058  100060  100061  100062  100063  100064  100065  100066  100067  100068  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC2-5
PLUMED:   with arguments : 
PLUMED:    scalar with label contside2-5 
PLUMED:    scalar with label exc_SC2-5 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC2-19
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100108  
PLUMED:   second group:
PLUMED:   100055  100057  100058  100059  100060  100061  100062  100063  100064  100065  100066  100067  100068  100069  100070  100071  100072  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC2-19
PLUMED:   with arguments : 
PLUMED:    scalar with label contside2-19 
PLUMED:    scalar with label exc_SC2-19 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC3-6
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100111  
PLUMED:   second group:
PLUMED:   100055  100056  100058  100059  100061  100062  100063  100064  100065  100066  100067  100068  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC3-6
PLUMED:   with arguments : 
PLUMED:    scalar with label contside3-6 
PLUMED:    scalar with label exc_SC3-6 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC3-7
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100112  
PLUMED:   second group:
PLUMED:   100055  100056  100058  100059  100060  100062  100063  100064  100065  100066  100067  100068  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC3-7
PLUMED:   with arguments : 
PLUMED:    scalar with label contside3-7 
PLUMED:    scalar with label exc_SC3-7 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC3-18
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100123  
PLUMED:   second group:
PLUMED:   100055  100056  100058  100059  100060  100061  100062  100063  100064  100065  100066  100067  100068  100069  100070  100071  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC3-18
PLUMED:   with arguments : 
PLUMED:    scalar with label contside3-18 
PLUMED:    scalar with label exc_SC3-18 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC3-19
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100124  
PLUMED:   second group:
PLUMED:   100055  100056  100058  100059  100060  100061  100062  100063  100064  100065  100066  100067  100068  100069  100070  100071  100072  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC3-19
PLUMED:   with arguments : 
PLUMED:    scalar with label contside3-19 
PLUMED:    scalar with label exc_SC3-19 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC4-7
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100127  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100059  100060  100062  100063  100064  100065  100066  100067  100068  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC4-7
PLUMED:   with arguments : 
PLUMED:    scalar with label contside4-7 
PLUMED:    scalar with label exc_SC4-7 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC4-8
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100128  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100059  100060  100061  100063  100064  100065  100066  100067  100068  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC4-8
PLUMED:   with arguments : 
PLUMED:    scalar with label contside4-8 
PLUMED:    scalar with label exc_SC4-8 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC5-8
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100142  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100060  100061  100063  100064  100065  100066  100067  100068  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC5-8
PLUMED:   with arguments : 
PLUMED:    scalar with label contside5-8 
PLUMED:    scalar with label exc_SC5-8 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC5-9
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100143  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100060  100061  100062  100064  100065  100066  100067  100068  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC5-9
PLUMED:   with arguments : 
PLUMED:    scalar with label contside5-9 
PLUMED:    scalar with label exc_SC5-9 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC6-10
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100157  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100059  100061  100062  100063  100065  100066  100067  100068  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC6-10
PLUMED:   with arguments : 
PLUMED:    scalar with label contside6-10 
PLUMED:    scalar with label exc_SC6-10 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC6-11
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100158  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100059  100061  100062  100063  100064  100066  100067  100068  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC6-11
PLUMED:   with arguments : 
PLUMED:    scalar with label contside6-11 
PLUMED:    scalar with label exc_SC6-11 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC6-12
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100159  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100059  100061  100062  100063  100064  100065  100067  100068  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC6-12
PLUMED:   with arguments : 
PLUMED:    scalar with label contside6-12 
PLUMED:    scalar with label exc_SC6-12 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC6-14
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100161  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100059  100061  100062  100063  100064  100065  100066  100067  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC6-14
PLUMED:   with arguments : 
PLUMED:    scalar with label contside6-14 
PLUMED:    scalar with label exc_SC6-14 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC6-16
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100163  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100059  100061  100062  100063  100064  100065  100066  100067  100068  100069  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC6-16
PLUMED:   with arguments : 
PLUMED:    scalar with label contside6-16 
PLUMED:    scalar with label exc_SC6-16 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC6-18
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100165  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100059  100061  100062  100063  100064  100065  100066  100067  100068  100069  100070  100071  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC6-18
PLUMED:   with arguments : 
PLUMED:    scalar with label contside6-18 
PLUMED:    scalar with label exc_SC6-18 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC6-19
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100166  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100059  100061  100062  100063  100064  100065  100066  100067  100068  100069  100070  100071  100072  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC6-19
PLUMED:   with arguments : 
PLUMED:    scalar with label contside6-19 
PLUMED:    scalar with label exc_SC6-19 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC7-11
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100170  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100059  100060  100062  100063  100064  100066  100067  100068  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC7-11
PLUMED:   with arguments : 
PLUMED:    scalar with label contside7-11 
PLUMED:    scalar with label exc_SC7-11 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC7-12
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100171  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100059  100060  100062  100063  100064  100065  100067  100068  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC7-12
PLUMED:   with arguments : 
PLUMED:    scalar with label contside7-12 
PLUMED:    scalar with label exc_SC7-12 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC9-14
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100194  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100059  100060  100061  100062  100064  100065  100066  100067  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC9-14
PLUMED:   with arguments : 
PLUMED:    scalar with label contside9-14 
PLUMED:    scalar with label exc_SC9-14 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC9-16
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100196  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100059  100060  100061  100062  100064  100065  100066  100067  100068  100069  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC9-16
PLUMED:   with arguments : 
PLUMED:    scalar with label contside9-16 
PLUMED:    scalar with label exc_SC9-16 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC10-13
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100202  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100059  100060  100061  100062  100063  100065  100066  100068  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC10-13
PLUMED:   with arguments : 
PLUMED:    scalar with label contside10-13 
PLUMED:    scalar with label exc_SC10-13 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC10-14
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100203  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100059  100060  100061  100062  100063  100065  100066  100067  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC10-14
PLUMED:   with arguments : 
PLUMED:    scalar with label contside10-14 
PLUMED:    scalar with label exc_SC10-14 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC11-14
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100211  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100059  100060  100061  100062  100063  100064  100066  100067  100069  100070  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC11-14
PLUMED:   with arguments : 
PLUMED:    scalar with label contside11-14 
PLUMED:    scalar with label exc_SC11-14 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC11-16
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100213  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100059  100060  100061  100062  100063  100064  100066  100067  100068  100069  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC11-16
PLUMED:   with arguments : 
PLUMED:    scalar with label contside11-16 
PLUMED:    scalar with label exc_SC11-16 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label exc_SC14-16
PLUMED:   between two groups of 1 and 18 atoms
PLUMED:   first group:
PLUMED:   100231  
PLUMED:   second group:
PLUMED:   100055  100056  100057  100058  100059  100060  100061  100062  100063  100064  100065  100066  100067  100069  100071  100072  100073  100074  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 0.800000
PLUMED:   contacts are counted with cutoff 0.35.  Using rational switching function with parameters d0=0 nn=2 mm=10
PLUMED: Action COMBINE
PLUMED:   with label diff_SC14-16
PLUMED:   with arguments : 
PLUMED:    scalar with label contside14-16 
PLUMED:    scalar with label exc_SC14-16 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label contsideF
PLUMED:   between two groups of 27 and 27 atoms
PLUMED:   first group:
PLUMED:   100055  100056  100056  100057  100057  100057  100057  100058  100058  100059  100059  100060  100060  100060  100060  100060  100060  100060  100061  100061  100063  100063  100064  100064  
PLUMED:   100065  100065  100068  
PLUMED:   second group:
PLUMED:   100058  100059  100073  100060  100061  100072  100073  100061  100062  100062  100063  100064  100065  100066  100068  100070  100072  100073  100065  100066  100068  100070  100067  100068  
PLUMED:   100068  100070  100070  
PLUMED:   using periodic boundary conditions
PLUMED:   with PAIR option
PLUMED:   contacts are counted with cutoff 0.8.  Using rational switching function with parameters d0=0 nn=4 mm=8
PLUMED: Action COMBINE
PLUMED:   with label exSCF
PLUMED:   with arguments : 
PLUMED:    scalar with label exc_SC1-4 
PLUMED:    scalar with label exc_SC2-5 
PLUMED:    scalar with label exc_SC2-19 
PLUMED:    scalar with label exc_SC3-6 
PLUMED:    scalar with label exc_SC3-7 
PLUMED:    scalar with label exc_SC3-18 
PLUMED:    scalar with label exc_SC3-19 
PLUMED:    scalar with label exc_SC4-7 
PLUMED:    scalar with label exc_SC4-8 
PLUMED:    scalar with label exc_SC5-8 
PLUMED:    scalar with label exc_SC5-9 
PLUMED:    scalar with label exc_SC6-10 
PLUMED:    scalar with label exc_SC6-11 
PLUMED:    scalar with label exc_SC6-12 
PLUMED:    scalar with label exc_SC6-14 
PLUMED:    scalar with label exc_SC6-16 
PLUMED:    scalar with label exc_SC6-18 
PLUMED:    scalar with label exc_SC6-19 
PLUMED:    scalar with label exc_SC7-11 
PLUMED:    scalar with label exc_SC7-12 
PLUMED:    scalar with label exc_SC9-14 
PLUMED:    scalar with label exc_SC9-16 
PLUMED:    scalar with label exc_SC10-13 
PLUMED:    scalar with label exc_SC10-14 
PLUMED:    scalar with label exc_SC11-14 
PLUMED:    scalar with label exc_SC11-16 
PLUMED:    scalar with label exc_SC14-16 
PLUMED:   with coefficients: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED:   with parameters: 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED: Action COMBINE
PLUMED:   with label cmap_compact
PLUMED:   with arguments : 
PLUMED:    scalar with label contsideF 
PLUMED:    scalar with label exSCF 
PLUMED:   with coefficients: 1.000000 -1.000000
PLUMED:   with parameters: 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000
PLUMED: Action COMBINE
PLUMED:   with label cmap_non_compact
PLUMED:   with arguments : 
PLUMED:    scalar with label diff_SC1-4 
PLUMED:    scalar with label diff_SC2-5 
PLUMED:    scalar with label diff_SC2-19 
PLUMED:    scalar with label diff_SC3-6 
PLUMED:    scalar with label diff_SC3-7 
PLUMED:    scalar with label diff_SC3-18 
PLUMED:    scalar with label diff_SC3-19 
PLUMED:    scalar with label diff_SC4-7 
PLUMED:    scalar with label diff_SC4-8 
PLUMED:    scalar with label diff_SC5-8 
PLUMED:    scalar with label diff_SC5-9 
PLUMED:    scalar with label diff_SC6-10 
PLUMED:    scalar with label diff_SC6-11 
PLUMED:    scalar with label diff_SC6-12 
PLUMED:    scalar with label diff_SC6-14 
PLUMED:    scalar with label diff_SC6-16 
PLUMED:    scalar with label diff_SC6-18 
PLUMED:    scalar with label diff_SC6-19 
PLUMED:    scalar with label diff_SC7-11 
PLUMED:    scalar with label diff_SC7-12 
PLUMED:    scalar with label diff_SC9-14 
PLUMED:    scalar with label diff_SC9-16 
PLUMED:    scalar with label diff_SC10-13 
PLUMED:    scalar with label diff_SC10-14 
PLUMED:    scalar with label diff_SC11-14 
PLUMED:    scalar with label diff_SC11-16 
PLUMED:    scalar with label diff_SC14-16 
PLUMED:   with coefficients: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED:   with parameters: 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
PLUMED:   and powers: 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000 1.000000
PLUMED: Action COORDINATION
PLUMED:   with label C92
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   92  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 1.500000
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label C94
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   94  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 1.500000
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label C90
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   90  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 1.500000
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label C85
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   85  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 1.500000
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label O45
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   45  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 1.500000
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label N83
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   83  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 1.500000
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=10
PLUMED: Action COORDINATION
PLUMED:   with label N97
PLUMED:   between two groups of 1 and 1539 atoms
PLUMED:   first group:
PLUMED:   97  
PLUMED:   second group:
PLUMED:   273  277  281  285  289  293  297  301  305  309  313  317  321  325  329  333  337  341  345  349  353  357  361  365  
PLUMED:   369  373  377  381  385  389  393  397  401  405  409  413  417  421  425  429  433  437  441  445  449  453  457  461  465  
PLUMED:   469  473  477  481  485  489  493  497  501  505  509  513  517  521  525  529  533  537  541  545  549  553  557  561  565  
PLUMED:   569  573  577  581  585  589  593  597  601  605  609  613  617  621  625  629  633  637  641  645  649  653  657  661  665  
PLUMED:   669  673  677  681  685  689  693  697  701  705  709  713  717  721  725  729  733  737  741  745  749  753  757  761  765  
PLUMED:   769  773  777  781  785  789  793  797  801  805  809  813  817  821  825  829  833  837  841  845  849  853  857  861  865  
PLUMED:   869  873  877  881  885  889  893  897  901  905  909  913  917  921  925  929  933  937  941  945  949  953  957  961  965  
PLUMED:   969  973  977  981  985  989  993  997  1001  1005  1009  1013  1017  1021  1025  1029  1033  1037  1041  1045  1049  1053  1057  1061  1065  
PLUMED:   1069  1073  1077  1081  1085  1089  1093  1097  1101  1105  1109  1113  1117  1121  1125  1129  1133  1137  1141  1145  1149  1153  1157  1161  1165  
PLUMED:   1169  1173  1177  1181  1185  1189  1193  1197  1201  1205  1209  1213  1217  1221  1225  1229  1233  1237  1241  1245  1249  1253  1257  1261  1265  
PLUMED:   1269  1273  1277  1281  1285  1289  1293  1297  1301  1305  1309  1313  1317  1321  1325  1329  1333  1337  1341  1345  1349  1353  1357  1361  1365  
PLUMED:   1369  1373  1377  1381  1385  1389  1393  1397  1401  1405  1409  1413  1417  1421  1425  1429  1433  1437  1441  1445  1449  1453  1457  1461  1465  
PLUMED:   1469  1473  1477  1481  1485  1489  1493  1497  1501  1505  1509  1513  1517  1521  1525  1529  1533  1537  1541  1545  1549  1553  1557  1561  1565  
PLUMED:   1569  1573  1577  1581  1585  1589  1593  1597  1601  1605  1609  1613  1617  1621  1625  1629  1633  1637  1641  1645  1649  1653  1657  1661  1665  
PLUMED:   1669  1673  1677  1681  1685  1689  1693  1697  1701  1705  1709  1713  1717  1721  1725  1729  1733  1737  1741  1745  1749  1753  1757  1761  1765  
PLUMED:   1769  1773  1777  1781  1785  1789  1793  1797  1801  1805  1809  1813  1817  1821  1825  1829  1833  1837  1841  1845  1849  1853  1857  1861  1865  
PLUMED:   1869  1873  1877  1881  1885  1889  1893  1897  1901  1905  1909  1913  1917  1921  1925  1929  1933  1937  1941  1945  1949  1953  1957  1961  1965  
PLUMED:   1969  1973  1977  1981  1985  1989  1993  1997  2001  2005  2009  2013  2017  2021  2025  2029  2033  2037  2041  2045  2049  2053  2057  2061  2065  
PLUMED:   2069  2073  2077  2081  2085  2089  2093  2097  2101  2105  2109  2113  2117  2121  2125  2129  2133  2137  2141  2145  2149  2153  2157  2161  2165  
PLUMED:   2169  2173  2177  2181  2185  2189  2193  2197  2201  2205  2209  2213  2217  2221  2225  2229  2233  2237  2241  2245  2249  2253  2257  2261  2265  
PLUMED:   2269  2273  2277  2281  2285  2289  2293  2297  2301  2305  2309  2313  2317  2321  2325  2329  2333  2337  2341  2345  2349  2353  2357  2361  2365  
PLUMED:   2369  2373  2377  2381  2385  2389  2393  2397  2401  2405  2409  2413  2417  2421  2425  2429  2433  2437  2441  2445  2449  2453  2457  2461  2465  
PLUMED:   2469  2473  2477  2481  2485  2489  2493  2497  2501  2505  2509  2513  2517  2521  2525  2529  2533  2537  2541  2545  2549  2553  2557  2561  2565  
PLUMED:   2569  2573  2577  2581  2585  2589  2593  2597  2601  2605  2609  2613  2617  2621  2625  2629  2633  2637  2641  2645  2649  2653  2657  2661  2665  
PLUMED:   2669  2673  2677  2681  2685  2689  2693  2697  2701  2705  2709  2713  2717  2721  2725  2729  2733  2737  2741  2745  2749  2753  2757  2761  2765  
PLUMED:   2769  2773  2777  2781  2785  2789  2793  2797  2801  2805  2809  2813  2817  2821  2825  2829  2833  2837  2841  2845  2849  2853  2857  2861  2865  
PLUMED:   2869  2873  2877  2881  2885  2889  2893  2897  2901  2905  2909  2913  2917  2921  2925  2929  2933  2937  2941  2945  2949  2953  2957  2961  2965  
PLUMED:   2969  2973  2977  2981  2985  2989  2993  2997  3001  3005  3009  3013  3017  3021  3025  3029  3033  3037  3041  3045  3049  3053  3057  3061  3065  
PLUMED:   3069  3073  3077  3081  3085  3089  3093  3097  3101  3105  3109  3113  3117  3121  3125  3129  3133  3137  3141  3145  3149  3153  3157  3161  3165  
PLUMED:   3169  3173  3177  3181  3185  3189  3193  3197  3201  3205  3209  3213  3217  3221  3225  3229  3233  3237  3241  3245  3249  3253  3257  3261  3265  
PLUMED:   3269  3273  3277  3281  3285  3289  3293  3297  3301  3305  3309  3313  3317  3321  3325  3329  3333  3337  3341  3345  3349  3353  3357  3361  3365  
PLUMED:   3369  3373  3377  3381  3385  3389  3393  3397  3401  3405  3409  3413  3417  3421  3425  3429  3433  3437  3441  3445  3449  3453  3457  3461  3465  
PLUMED:   3469  3473  3477  3481  3485  3489  3493  3497  3501  3505  3509  3513  3517  3521  3525  3529  3533  3537  3541  3545  3549  3553  3557  3561  3565  
PLUMED:   3569  3573  3577  3581  3585  3589  3593  3597  3601  3605  3609  3613  3617  3621  3625  3629  3633  3637  3641  3645  3649  3653  3657  3661  3665  
PLUMED:   3669  3673  3677  3681  3685  3689  3693  3697  3701  3705  3709  3713  3717  3721  3725  3729  3733  3737  3741  3745  3749  3753  3757  3761  3765  
PLUMED:   3769  3773  3777  3781  3785  3789  3793  3797  3801  3805  3809  3813  3817  3821  3825  3829  3833  3837  3841  3845  3849  3853  3857  3861  3865  
PLUMED:   3869  3873  3877  3881  3885  3889  3893  3897  3901  3905  3909  3913  3917  3921  3925  3929  3933  3937  3941  3945  3949  3953  3957  3961  3965  
PLUMED:   3969  3973  3977  3981  3985  3989  3993  3997  4001  4005  4009  4013  4017  4021  4025  4029  4033  4037  4041  4045  4049  4053  4057  4061  4065  
PLUMED:   4069  4073  4077  4081  4085  4089  4093  4097  4101  4105  4109  4113  4117  4121  4125  4129  4133  4137  4141  4145  4149  4153  4157  4161  4165  
PLUMED:   4169  4173  4177  4181  4185  4189  4193  4197  4201  4205  4209  4213  4217  4221  4225  4229  4233  4237  4241  4245  4249  4253  4257  4261  4265  
PLUMED:   4269  4273  4277  4281  4285  4289  4293  4297  4301  4305  4309  4313  4317  4321  4325  4329  4333  4337  4341  4345  4349  4353  4357  4361  4365  
PLUMED:   4369  4373  4377  4381  4385  4389  4393  4397  4401  4405  4409  4413  4417  4421  4425  4429  4433  4437  4441  4445  4449  4453  4457  4461  4465  
PLUMED:   4469  4473  4477  4481  4485  4489  4493  4497  4501  4505  4509  4513  4517  4521  4525  4529  4533  4537  4541  4545  4549  4553  4557  4561  4565  
PLUMED:   4569  4573  4577  4581  4585  4589  4593  4597  4601  4605  4609  4613  4617  4621  4625  4629  4633  4637  4641  4645  4649  4653  4657  4661  4665  
PLUMED:   4669  4673  4677  4681  4685  4689  4693  4697  4701  4705  4709  4713  4717  4721  4725  4729  4733  4737  4741  4745  4749  4753  4757  4761  4765  
PLUMED:   4769  4773  4777  4781  4785  4789  4793  4797  4801  4805  4809  4813  4817  4821  4825  4829  4833  4837  4841  4845  4849  4853  4857  4861  4865  
PLUMED:   4869  4873  4877  4881  4885  4889  4893  4897  4901  4905  4909  4913  4917  4921  4925  4929  4933  4937  4941  4945  4949  4953  4957  4961  4965  
PLUMED:   4969  4973  4977  4981  4985  4989  4993  4997  5001  5005  5009  5013  5017  5021  5025  5029  5033  5037  5041  5045  5049  5053  5057  5061  5065  
PLUMED:   5069  5073  5077  5081  5085  5089  5093  5097  5101  5105  5109  5113  5117  5121  5125  5129  5133  5137  5141  5145  5149  5153  5157  5161  5165  
PLUMED:   5169  5173  5177  5181  5185  5189  5193  5197  5201  5205  5209  5213  5217  5221  5225  5229  5233  5237  5241  5245  5249  5253  5257  5261  5265  
PLUMED:   5269  5273  5277  5281  5285  5289  5293  5297  5301  5305  5309  5313  5317  5321  5325  5329  5333  5337  5341  5345  5349  5353  5357  5361  5365  
PLUMED:   5369  5373  5377  5381  5385  5389  5393  5397  5401  5405  5409  5413  5417  5421  5425  5429  5433  5437  5441  5445  5449  5453  5457  5461  5465  
PLUMED:   5469  5473  5477  5481  5485  5489  5493  5497  5501  5505  5509  5513  5517  5521  5525  5529  5533  5537  5541  5545  5549  5553  5557  5561  5565  
PLUMED:   5569  5573  5577  5581  5585  5589  5593  5597  5601  5605  5609  5613  5617  5621  5625  5629  5633  5637  5641  5645  5649  5653  5657  5661  5665  
PLUMED:   5669  5673  5677  5681  5685  5689  5693  5697  5701  5705  5709  5713  5717  5721  5725  5729  5733  5737  5741  5745  5749  5753  5757  5761  5765  
PLUMED:   5769  5773  5777  5781  5785  5789  5793  5797  5801  5805  5809  5813  5817  5821  5825  5829  5833  5837  5841  5845  5849  5853  5857  5861  5865  
PLUMED:   5869  5873  5877  5881  5885  5889  5893  5897  5901  5905  5909  5913  5917  5921  5925  5929  5933  5937  5941  5945  5949  5953  5957  5961  5965  
PLUMED:   5969  5973  5977  5981  5985  5989  5993  5997  6001  6005  6009  6013  6017  6021  6025  6029  6033  6037  6041  6045  6049  6053  6057  6061  6065  
PLUMED:   6069  6073  6077  6081  6085  6089  6093  6097  6101  6105  6109  6113  6117  6121  6125  6129  6133  6137  6141  6145  6149  6153  6157  6161  6165  
PLUMED:   6169  6173  6177  6181  6185  6189  6193  6197  6201  6205  6209  6213  6217  6221  6225  6229  6233  6237  6241  6245  6249  6253  6257  6261  6265  
PLUMED:   6269  6273  6277  6281  6285  6289  6293  6297  6301  6305  6309  6313  6317  6321  6325  6329  6333  6337  6341  6345  6349  6353  6357  6361  6365  
PLUMED:   6369  6373  6377  6381  6385  6389  6393  6397  6401  6405  6409  6413  6417  6421  6425  
PLUMED:   using periodic boundary conditions
PLUMED:   using neighbor lists with
PLUMED:   update every 20 steps and cutoff 1.500000
PLUMED:   contacts are counted with cutoff 0.3.  Using rational switching function with parameters d0=0 nn=6 mm=10
PLUMED: Action OPES_METAD_EXPLORE
PLUMED:   with label opes
PLUMED:   with arguments : 
PLUMED:    scalar with label diffHB_compact 
PLUMED:    scalar with label cmap_compact 
PLUMED:   added component to this action:  opes.bias 
PLUMED:  +++ WARNING +++ the provided STATE_RFILE will be ignored, since RESTART was not requested
PLUMED:   added component to this action:  opes.rct 
PLUMED:   added component to this action:  opes.zed 
PLUMED:   added component to this action:  opes.neff 
PLUMED:   added component to this action:  opes.nker 
PLUMED:   temperature = 299.478
PLUMED:   beta = 0.401606
PLUMED:   depositing new kernels with PACE = 50000
PLUMED:   expected BARRIER is 30
PLUMED:   using target distribution with BIASFACTOR gamma = 12.0482
PLUMED:   kernels have initial SIGMA =  8.78176 3.50576
PLUMED:   kernels are truncated with KERNELS_CUTOFF = 4.90881
PLUMED:   the value at cutoff is = 5.85513e-06
PLUMED:   regularization EPSILON = 0.336044
PLUMED:   kernels will be compressed when closer than COMPRESSION_THRESHOLD = 1
PLUMED:   state checkpoints are written on file compressed.Kernels only on CPT events (or never if MD code does define them!)
PLUMED:   Bibliography: [3][4]
PLUMED: Action OPES_METAD_EXPLORE
PLUMED:   with label opese1
PLUMED:   with arguments : 
PLUMED:    scalar with label C92 
PLUMED:   added component to this action:  opese1.bias 
PLUMED:  +++ WARNING +++ the provided STATE_RFILE will be ignored, since RESTART was not requested
PLUMED:   added component to this action:  opese1.rct 
PLUMED:   added component to this action:  opese1.zed 
PLUMED:   added component to this action:  opese1.neff 
PLUMED:   added component to this action:  opese1.nker 
PLUMED:   temperature = 299.478
PLUMED:   beta = 0.401606
PLUMED:   depositing new kernels with PACE = 100000
PLUMED:   expected BARRIER is 3
PLUMED:   using target distribution with BIASFACTOR gamma = 1.20482
PLUMED:   kernels have initial SIGMA =  0.428081
PLUMED:   kernels are truncated with KERNELS_CUTOFF = 1.5523
PLUMED:  +++ WARNING +++ probably kernels are truncated too much
PLUMED:   the value at cutoff is = 0.299746
PLUMED:   regularization EPSILON = 0.00278822
PLUMED:  +++ WARNING +++ the KERNEL_CUTOFF might be too small for the given EPSILON
PLUMED:   kernels will be compressed when closer than COMPRESSION_THRESHOLD = 1
PLUMED:   state checkpoints are written on file compressed.Kernelse1 only on CPT events (or never if MD code does define them!)
PLUMED:   Bibliography: [3][4]
PLUMED: Action ENERGY
PLUMED:   with label ene
PLUMED: WARNING for action ENERGY with label ene : documentation for the value calculated by this action has not been included 
PLUMED:   Bibliography [5][6]
PLUMED: Action ECV_MULTITHERMAL
PLUMED:   with label ecv
PLUMED:   with arguments : 
PLUMED:    scalar with label ene 
PLUMED:   temperature = 299.478, beta = 0.401606
PLUMED:   added component to this action:  ecv.ene 
PLUMED:  +++ WARNING +++ running at TEMP=299.478 which is outside the chosen temperature range
PLUMED:   targeting a temperature range from TEMP_MIN=319 to TEMP_MAX=325
PLUMED: Action OPES_EXPANDED
PLUMED:   with label opesX
PLUMED:   only update from time 100.000000
PLUMED:   with arguments : 
PLUMED:    scalar with label ecv.ene 
PLUMED:   added component to this action:  opesX.bias 
PLUMED:   updating the bias with PACE = 1000
PLUMED:   initial unbiased OBSERVATION_STEPS = 100 (in units of PACE)
PLUMED:   Bibliography: [7]
PLUMED: Action PRINT
PLUMED:   with label @1298
PLUMED:   with stride 500
PLUMED:   with arguments : 
PLUMED:    scalar with label opes.bias 
PLUMED:    scalar with label ene 
PLUMED:    scalar with label rmsd_ca 
PLUMED:    scalar with label diffHB_compact 
PLUMED:    scalar with label cmap_compact 
PLUMED:    scalar with label C92 
PLUMED:    scalar with label C94 
PLUMED:    scalar with label C90 
PLUMED:    scalar with label C85 
PLUMED:    scalar with label O45 
PLUMED:    scalar with label N83 
PLUMED:    scalar with label N97 
PLUMED:    scalar with label opesX.bias 
PLUMED:    scalar with label opese1.bias 
PLUMED:   on file COLVAR
PLUMED:   with format  %f
PLUMED: END FILE: plumed.dat
PLUMED: Timestep: 1.000000
PLUMED: KbT: 2.490000
PLUMED: Relevant bibliography:
PLUMED:   [1] The PLUMED consortium, Nat. Methods 16, 670 (2019)
PLUMED:   [2] Tribello, Bonomi, Branduardi, Camilloni, and Bussi, Comput. Phys. Commun. 185, 604 (2014)
PLUMED:   [3] M. Invernizzi and M. Parrinello, J. Phys. Chem. Lett. 11, 2731-2736 (2020)
PLUMED:   [4] M. Invernizzi and M. Parrinello, J. Chem. Theory Comput. 18, 3988-3996 (2022)
PLUMED:   [5] Bartels and Karplus, J. Phys. Chem. B 102, 865 (1998)
PLUMED:   [6] Bonomi and Parrinello, J. Comp. Chem. 30, 1615 (2009)
PLUMED:   [7] M. Invernizzi, P.M. Piaggi, and M. Parrinello, Phys. Rev. X 10, 041034 (2020)
PLUMED: Please read and cite where appropriate!
PLUMED: Finished setup
PLUMED:                                               Cycles        Total      Average      Minimum      Maximum
PLUMED:                                                    1     0.528833     0.528833     0.528833     0.528833
