PLUMED: PLUMED is starting
PLUMED: Version: 2.11.0-dev (git: 6a5719e65) compiled on Jul 27 2026 at 12:58:01
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_master
PLUMED: LibraryPath: /home/runner/opt/lib/libplumed_masterKernel.so
PLUMED: For installed feature, see /home/runner/opt/lib/plumed_master/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 UNITS
PLUMED:   with label @0
PLUMED:   length: A = 0.1 nm
PLUMED:   energy: kj/mol
PLUMED:   time: 0.001 ps
PLUMED:   charge: e
PLUMED:   mass: amu
PLUMED:   using physical units
PLUMED:   inside PLUMED, Boltzmann constant is 0.00831446
PLUMED: Action INCLUDE
PLUMED:   with label @1
PLUMED: FILE: ./group_indices.dat
PLUMED: Action GROUP
PLUMED:   with label Li
PLUMED:   list of atoms:
PLUMED:  1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25
PLUMED:  26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50
PLUMED:  51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75
PLUMED:  76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100
PLUMED:  101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125
PLUMED:  126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150
PLUMED:  151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175
PLUMED:  176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200
PLUMED:  201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225
PLUMED:  226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250
PLUMED:  251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275
PLUMED:  276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300
PLUMED:  301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 501 502 503 504 505
PLUMED:  506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530
PLUMED:  531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555
PLUMED:  556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580
PLUMED:  581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605
PLUMED:  606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630
PLUMED:  631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655
PLUMED:  656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680
PLUMED:  681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705
PLUMED:  706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730
PLUMED:  731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755
PLUMED:  756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780
PLUMED:  781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805
PLUMED:  806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010
PLUMED:  1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035
PLUMED:  1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060
PLUMED:  1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085
PLUMED:  1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110
PLUMED:  1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135
PLUMED:  1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160
PLUMED:  1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185
PLUMED:  1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210
PLUMED:  1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235
PLUMED:  1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260
PLUMED:  1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285
PLUMED:  1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310
PLUMED:  1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515
PLUMED:  1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540
PLUMED:  1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565
PLUMED:  1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590
PLUMED:  1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615
PLUMED:  1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640
PLUMED:  1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665
PLUMED:  1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690
PLUMED:  1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715
PLUMED:  1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740
PLUMED:  1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1761 1762 1763 1764 1765
PLUMED:  1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790
PLUMED:  1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815
PLUMED:  1816 1817 1818 1819 1820 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 2018 2019 2020
PLUMED:  2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2041 2042 2043 2044 2045
PLUMED:  2046 2047 2048 2049 2050 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070
PLUMED:  2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2091 2092 2093 2094 2095
PLUMED:  2096 2097 2098 2099 2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120
PLUMED:  2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 2131 2132 2133 2134 2135 2136 2137 2138 2139 2140 2141 2142 2143 2144 2145
PLUMED:  2146 2147 2148 2149 2150 2151 2152 2153 2154 2155 2156 2157 2158 2159 2160 2161 2162 2163 2164 2165 2166 2167 2168 2169 2170
PLUMED:  2171 2172 2173 2174 2175 2176 2177 2178 2179 2180 2181 2182 2183 2184 2185 2186 2187 2188 2189 2190 2191 2192 2193 2194 2195
PLUMED:  2196 2197 2198 2199 2200 2201 2202 2203 2204 2205 2206 2207 2208 2209 2210 2211 2212 2213 2214 2215 2216 2217 2218 2219 2220
PLUMED:  2221 2222 2223 2224 2225 2226 2227 2228 2229 2230 2231 2232 2233 2234 2235 2236 2237 2238 2239 2240 2241 2242 2243 2244 2245
PLUMED:  2246 2247 2248 2249 2250 2251 2252 2253 2254 2255 2256 2257 2258 2259 2260 2261 2262 2263 2264 2265 2266 2267 2268 2269 2270
PLUMED:  2271 2272 2273 2274 2275 2276 2277 2278 2279 2280 2281 2282 2283 2284 2285 2286 2287 2288 2289 2290 2291 2292 2293 2294 2295
PLUMED:  2296 2297 2298 2299 2300 2301 2302 2303 2304 2305 2306 2307 2308 2309 2310 2311 2312 2313 2314 2315 2316 2317 2318 2319 2320
PLUMED:  2501 2502 2503 2504 2505 2506 2507 2508 2509 2510 2511 2512 2513 2514 2515 2516 2517 2518 2519 2520 2521 2522 2523 2524 2525
PLUMED:  2526 2527 2528 2529 2530 2531 2532 2533 2534 2535 2536 2537 2538 2539 2540 2541 2542 2543 2544 2545 2546 2547 2548 2549 2550
PLUMED:  2551 2552 2553 2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 2569 2570 2571 2572 2573 2574 2575
PLUMED:  2576 2577 2578 2579 2580 2581 2582 2583 2584 2585 2586 2587 2588 2589 2590 2591 2592 2593 2594 2595 2596 2597 2598 2599 2600
PLUMED:  2601 2602 2603 2604 2605 2606 2607 2608 2609 2610 2611 2612 2613 2614 2615 2616 2617 2618 2619 2620 2621 2622 2623 2624 2625
PLUMED:  2626 2627 2628 2629 2630 2631 2632 2633 2634 2635 2636 2637 2638 2639 2640 2641 2642 2643 2644 2645 2646 2647 2648 2649 2650
PLUMED:  2651 2652 2653 2654 2655 2656 2657 2658 2659 2660 2661 2662 2663 2664 2665 2666 2667 2668 2669 2670 2671 2672 2673 2674 2675
PLUMED:  2676 2677 2678 2679 2680 2681 2682 2683 2684 2685 2686 2687 2688 2689 2690 2691 2692 2693 2694 2695 2696 2697 2698 2699 2700
PLUMED:  2701 2702 2703 2704 2705 2706 2707 2708 2709 2710 2711 2712 2713 2714 2715 2716 2717 2718 2719 2720 2721 2722 2723 2724 2725
PLUMED:  2726 2727 2728 2729 2730 2731 2732 2733 2734 2735 2736 2737 2738 2739 2740 2741 2742 2743 2744 2745 2746 2747 2748 2749 2750
PLUMED:  2751 2752 2753 2754 2755 2756 2757 2758 2759 2760 2761 2762 2763 2764 2765 2766 2767 2768 2769 2770 2771 2772 2773 2774 2775
PLUMED:  2776 2777 2778 2779 2780 2781 2782 2783 2784 2785 2786 2787 2788 2789 2790 2791 2792 2793 2794 2795 2796 2797 2798 2799 2800
PLUMED:  2801 2802 2803 2804 2805 2806 2807 2808 2809 2810 2811 2812 2813 2814 2815 2816 2817 2818 2819 2820 3001 3002 3003 3004 3005
PLUMED:  3006 3007 3008 3009 3010 3011 3012 3013 3014 3015 3016 3017 3018 3019 3020 3021 3022 3023 3024 3025 3026 3027 3028 3029 3030
PLUMED:  3031 3032 3033 3034 3035 3036 3037 3038 3039 3040 3041 3042 3043 3044 3045 3046 3047 3048 3049 3050 3051 3052 3053 3054 3055
PLUMED:  3056 3057 3058 3059 3060 3061 3062 3063 3064 3065 3066 3067 3068 3069 3070 3071 3072 3073 3074 3075 3076 3077 3078 3079 3080
PLUMED:  3081 3082 3083 3084 3085 3086 3087 3088 3089 3090 3091 3092 3093 3094 3095 3096 3097 3098 3099 3100 3101 3102 3103 3104 3105
PLUMED:  3106 3107 3108 3109 3110 3111 3112 3113 3114 3115 3116 3117 3118 3119 3120 3121 3122 3123 3124 3125 3126 3127 3128 3129 3130
PLUMED:  3131 3132 3133 3134 3135 3136 3137 3138 3139 3140 3141 3142 3143 3144 3145 3146 3147 3148 3149 3150 3151 3152 3153 3154 3155
PLUMED:  3156 3157 3158 3159 3160 3161 3162 3163 3164 3165 3166 3167 3168 3169 3170 3171 3172 3173 3174 3175 3176 3177 3178 3179 3180
PLUMED:  3181 3182 3183 3184 3185 3186 3187 3188 3189 3190 3191 3192 3193 3194 3195 3196 3197 3198 3199 3200 3201 3202 3203 3204 3205
PLUMED:  3206 3207 3208 3209 3210 3211 3212 3213 3214 3215 3216 3217 3218 3219 3220 3221 3222 3223 3224 3225 3226 3227 3228 3229 3230
PLUMED:  3231 3232 3233 3234 3235 3236 3237 3238 3239 3240 3241 3242 3243 3244 3245 3246 3247 3248 3249 3250 3251 3252 3253 3254 3255
PLUMED:  3256 3257 3258 3259 3260 3261 3262 3263 3264 3265 3266 3267 3268 3269 3270 3271 3272 3273 3274 3275 3276 3277 3278 3279 3280
PLUMED:  3281 3282 3283 3284 3285 3286 3287 3288 3289 3290 3291 3292 3293 3294 3295 3296 3297 3298 3299 3300 3301 3302 3303 3304 3305
PLUMED:  3306 3307 3308 3309 3310 3311 3312 3313 3314 3315 3316 3317 3318 3319 3320 3501 3502 3503 3504 3505 3506 3507 3508 3509 3510
PLUMED:  3511 3512 3513 3514 3515 3516 3517 3518 3519 3520 3521 3522 3523 3524 3525 3526 3527 3528 3529 3530 3531 3532 3533 3534 3535
PLUMED:  3536 3537 3538 3539 3540 3541 3542 3543 3544 3545 3546 3547 3548 3549 3550 3551 3552 3553 3554 3555 3556 3557 3558 3559 3560
PLUMED:  3561 3562 3563 3564 3565 3566 3567 3568 3569 3570 3571 3572 3573 3574 3575 3576 3577 3578 3579 3580 3581 3582 3583 3584 3585
PLUMED:  3586 3587 3588 3589 3590 3591 3592 3593 3594 3595 3596 3597 3598 3599 3600 3601 3602 3603 3604 3605 3606 3607 3608 3609 3610
PLUMED:  3611 3612 3613 3614 3615 3616 3617 3618 3619 3620 3621 3622 3623 3624 3625 3626 3627 3628 3629 3630 3631 3632 3633 3634 3635
PLUMED:  3636 3637 3638 3639 3640 3641 3642 3643 3644 3645 3646 3647 3648 3649 3650 3651 3652 3653 3654 3655 3656 3657 3658 3659 3660
PLUMED:  3661 3662 3663 3664 3665 3666 3667 3668 3669 3670 3671 3672 3673 3674 3675 3676 3677 3678 3679 3680 3681 3682 3683 3684 3685
PLUMED:  3686 3687 3688 3689 3690 3691 3692 3693 3694 3695 3696 3697 3698 3699 3700 3701 3702 3703 3704 3705 3706 3707 3708 3709 3710
PLUMED:  3711 3712 3713 3714 3715 3716 3717 3718 3719 3720 3721 3722 3723 3724 3725 3726 3727 3728 3729 3730 3731 3732 3733 3734 3735
PLUMED:  3736 3737 3738 3739 3740 3741 3742 3743 3744 3745 3746 3747 3748 3749 3750 3751 3752 3753 3754 3755 3756 3757 3758 3759 3760
PLUMED:  3761 3762 3763 3764 3765 3766 3767 3768 3769 3770 3771 3772 3773 3774 3775 3776 3777 3778 3779 3780 3781 3782 3783 3784 3785
PLUMED:  3786 3787 3788 3789 3790 3791 3792 3793 3794 3795 3796 3797 3798 3799 3800 3801 3802 3803 3804 3805 3806 3807 3808 3809 3810
PLUMED:  3811 3812 3813 3814 3815 3816 3817 3818 3819 3820
PLUMED: Action GROUP
PLUMED:   with label Na
PLUMED:   removing these atoms from the list:
PLUMED:  1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25
PLUMED:  26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50
PLUMED:  51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75
PLUMED:  76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100
PLUMED:  101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125
PLUMED:  126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150
PLUMED:  151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175
PLUMED:  176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200
PLUMED:  201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225
PLUMED:  226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250
PLUMED:  251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275
PLUMED:  276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300
PLUMED:  301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 501 502 503 504 505
PLUMED:  506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530
PLUMED:  531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555
PLUMED:  556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580
PLUMED:  581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605
PLUMED:  606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630
PLUMED:  631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655
PLUMED:  656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680
PLUMED:  681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705
PLUMED:  706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730
PLUMED:  731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755
PLUMED:  756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780
PLUMED:  781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805
PLUMED:  806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010
PLUMED:  1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035
PLUMED:  1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060
PLUMED:  1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085
PLUMED:  1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110
PLUMED:  1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135
PLUMED:  1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160
PLUMED:  1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185
PLUMED:  1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210
PLUMED:  1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235
PLUMED:  1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260
PLUMED:  1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285
PLUMED:  1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310
PLUMED:  1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515
PLUMED:  1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540
PLUMED:  1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565
PLUMED:  1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590
PLUMED:  1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615
PLUMED:  1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640
PLUMED:  1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665
PLUMED:  1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690
PLUMED:  1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715
PLUMED:  1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740
PLUMED:  1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1761 1762 1763 1764 1765
PLUMED:  1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790
PLUMED:  1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815
PLUMED:  1816 1817 1818 1819 1820 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 2018 2019 2020
PLUMED:  2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2041 2042 2043 2044 2045
PLUMED:  2046 2047 2048 2049 2050 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070
PLUMED:  2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2091 2092 2093 2094 2095
PLUMED:  2096 2097 2098 2099 2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120
PLUMED:  2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 2131 2132 2133 2134 2135 2136 2137 2138 2139 2140 2141 2142 2143 2144 2145
PLUMED:  2146 2147 2148 2149 2150 2151 2152 2153 2154 2155 2156 2157 2158 2159 2160 2161 2162 2163 2164 2165 2166 2167 2168 2169 2170
PLUMED:  2171 2172 2173 2174 2175 2176 2177 2178 2179 2180 2181 2182 2183 2184 2185 2186 2187 2188 2189 2190 2191 2192 2193 2194 2195
PLUMED:  2196 2197 2198 2199 2200 2201 2202 2203 2204 2205 2206 2207 2208 2209 2210 2211 2212 2213 2214 2215 2216 2217 2218 2219 2220
PLUMED:  2221 2222 2223 2224 2225 2226 2227 2228 2229 2230 2231 2232 2233 2234 2235 2236 2237 2238 2239 2240 2241 2242 2243 2244 2245
PLUMED:  2246 2247 2248 2249 2250 2251 2252 2253 2254 2255 2256 2257 2258 2259 2260 2261 2262 2263 2264 2265 2266 2267 2268 2269 2270
PLUMED:  2271 2272 2273 2274 2275 2276 2277 2278 2279 2280 2281 2282 2283 2284 2285 2286 2287 2288 2289 2290 2291 2292 2293 2294 2295
PLUMED:  2296 2297 2298 2299 2300 2301 2302 2303 2304 2305 2306 2307 2308 2309 2310 2311 2312 2313 2314 2315 2316 2317 2318 2319 2320
PLUMED:  2501 2502 2503 2504 2505 2506 2507 2508 2509 2510 2511 2512 2513 2514 2515 2516 2517 2518 2519 2520 2521 2522 2523 2524 2525
PLUMED:  2526 2527 2528 2529 2530 2531 2532 2533 2534 2535 2536 2537 2538 2539 2540 2541 2542 2543 2544 2545 2546 2547 2548 2549 2550
PLUMED:  2551 2552 2553 2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 2569 2570 2571 2572 2573 2574 2575
PLUMED:  2576 2577 2578 2579 2580 2581 2582 2583 2584 2585 2586 2587 2588 2589 2590 2591 2592 2593 2594 2595 2596 2597 2598 2599 2600
PLUMED:  2601 2602 2603 2604 2605 2606 2607 2608 2609 2610 2611 2612 2613 2614 2615 2616 2617 2618 2619 2620 2621 2622 2623 2624 2625
PLUMED:  2626 2627 2628 2629 2630 2631 2632 2633 2634 2635 2636 2637 2638 2639 2640 2641 2642 2643 2644 2645 2646 2647 2648 2649 2650
PLUMED:  2651 2652 2653 2654 2655 2656 2657 2658 2659 2660 2661 2662 2663 2664 2665 2666 2667 2668 2669 2670 2671 2672 2673 2674 2675
PLUMED:  2676 2677 2678 2679 2680 2681 2682 2683 2684 2685 2686 2687 2688 2689 2690 2691 2692 2693 2694 2695 2696 2697 2698 2699 2700
PLUMED:  2701 2702 2703 2704 2705 2706 2707 2708 2709 2710 2711 2712 2713 2714 2715 2716 2717 2718 2719 2720 2721 2722 2723 2724 2725
PLUMED:  2726 2727 2728 2729 2730 2731 2732 2733 2734 2735 2736 2737 2738 2739 2740 2741 2742 2743 2744 2745 2746 2747 2748 2749 2750
PLUMED:  2751 2752 2753 2754 2755 2756 2757 2758 2759 2760 2761 2762 2763 2764 2765 2766 2767 2768 2769 2770 2771 2772 2773 2774 2775
PLUMED:  2776 2777 2778 2779 2780 2781 2782 2783 2784 2785 2786 2787 2788 2789 2790 2791 2792 2793 2794 2795 2796 2797 2798 2799 2800
PLUMED:  2801 2802 2803 2804 2805 2806 2807 2808 2809 2810 2811 2812 2813 2814 2815 2816 2817 2818 2819 2820 3001 3002 3003 3004 3005
PLUMED:  3006 3007 3008 3009 3010 3011 3012 3013 3014 3015 3016 3017 3018 3019 3020 3021 3022 3023 3024 3025 3026 3027 3028 3029 3030
PLUMED:  3031 3032 3033 3034 3035 3036 3037 3038 3039 3040 3041 3042 3043 3044 3045 3046 3047 3048 3049 3050 3051 3052 3053 3054 3055
PLUMED:  3056 3057 3058 3059 3060 3061 3062 3063 3064 3065 3066 3067 3068 3069 3070 3071 3072 3073 3074 3075 3076 3077 3078 3079 3080
PLUMED:  3081 3082 3083 3084 3085 3086 3087 3088 3089 3090 3091 3092 3093 3094 3095 3096 3097 3098 3099 3100 3101 3102 3103 3104 3105
PLUMED:  3106 3107 3108 3109 3110 3111 3112 3113 3114 3115 3116 3117 3118 3119 3120 3121 3122 3123 3124 3125 3126 3127 3128 3129 3130
PLUMED:  3131 3132 3133 3134 3135 3136 3137 3138 3139 3140 3141 3142 3143 3144 3145 3146 3147 3148 3149 3150 3151 3152 3153 3154 3155
PLUMED:  3156 3157 3158 3159 3160 3161 3162 3163 3164 3165 3166 3167 3168 3169 3170 3171 3172 3173 3174 3175 3176 3177 3178 3179 3180
PLUMED:  3181 3182 3183 3184 3185 3186 3187 3188 3189 3190 3191 3192 3193 3194 3195 3196 3197 3198 3199 3200 3201 3202 3203 3204 3205
PLUMED:  3206 3207 3208 3209 3210 3211 3212 3213 3214 3215 3216 3217 3218 3219 3220 3221 3222 3223 3224 3225 3226 3227 3228 3229 3230
PLUMED:  3231 3232 3233 3234 3235 3236 3237 3238 3239 3240 3241 3242 3243 3244 3245 3246 3247 3248 3249 3250 3251 3252 3253 3254 3255
PLUMED:  3256 3257 3258 3259 3260 3261 3262 3263 3264 3265 3266 3267 3268 3269 3270 3271 3272 3273 3274 3275 3276 3277 3278 3279 3280
PLUMED:  3281 3282 3283 3284 3285 3286 3287 3288 3289 3290 3291 3292 3293 3294 3295 3296 3297 3298 3299 3300 3301 3302 3303 3304 3305
PLUMED:  3306 3307 3308 3309 3310 3311 3312 3313 3314 3315 3316 3317 3318 3319 3320 3501 3502 3503 3504 3505 3506 3507 3508 3509 3510
PLUMED:  3511 3512 3513 3514 3515 3516 3517 3518 3519 3520 3521 3522 3523 3524 3525 3526 3527 3528 3529 3530 3531 3532 3533 3534 3535
PLUMED:  3536 3537 3538 3539 3540 3541 3542 3543 3544 3545 3546 3547 3548 3549 3550 3551 3552 3553 3554 3555 3556 3557 3558 3559 3560
PLUMED:  3561 3562 3563 3564 3565 3566 3567 3568 3569 3570 3571 3572 3573 3574 3575 3576 3577 3578 3579 3580 3581 3582 3583 3584 3585
PLUMED:  3586 3587 3588 3589 3590 3591 3592 3593 3594 3595 3596 3597 3598 3599 3600 3601 3602 3603 3604 3605 3606 3607 3608 3609 3610
PLUMED:  3611 3612 3613 3614 3615 3616 3617 3618 3619 3620 3621 3622 3623 3624 3625 3626 3627 3628 3629 3630 3631 3632 3633 3634 3635
PLUMED:  3636 3637 3638 3639 3640 3641 3642 3643 3644 3645 3646 3647 3648 3649 3650 3651 3652 3653 3654 3655 3656 3657 3658 3659 3660
PLUMED:  3661 3662 3663 3664 3665 3666 3667 3668 3669 3670 3671 3672 3673 3674 3675 3676 3677 3678 3679 3680 3681 3682 3683 3684 3685
PLUMED:  3686 3687 3688 3689 3690 3691 3692 3693 3694 3695 3696 3697 3698 3699 3700 3701 3702 3703 3704 3705 3706 3707 3708 3709 3710
PLUMED:  3711 3712 3713 3714 3715 3716 3717 3718 3719 3720 3721 3722 3723 3724 3725 3726 3727 3728 3729 3730 3731 3732 3733 3734 3735
PLUMED:  3736 3737 3738 3739 3740 3741 3742 3743 3744 3745 3746 3747 3748 3749 3750 3751 3752 3753 3754 3755 3756 3757 3758 3759 3760
PLUMED:  3761 3762 3763 3764 3765 3766 3767 3768 3769 3770 3771 3772 3773 3774 3775 3776 3777 3778 3779 3780 3781 3782 3783 3784 3785
PLUMED:  3786 3787 3788 3789 3790 3791 3792 3793 3794 3795 3796 3797 3798 3799 3800 3801 3802 3803 3804 3805 3806 3807 3808 3809 3810
PLUMED:  3811 3812 3813 3814 3815 3816 3817 3818 3819 3820
PLUMED:   list of atoms:
PLUMED:  321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345
PLUMED:  346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370
PLUMED:  371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395
PLUMED:  396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420
PLUMED:  421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445
PLUMED:  446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470
PLUMED:  471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495
PLUMED:  496 497 498 499 500 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840
PLUMED:  841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865
PLUMED:  866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890
PLUMED:  891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915
PLUMED:  916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940
PLUMED:  941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965
PLUMED:  966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990
PLUMED:  991 992 993 994 995 996 997 998 999 1000 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335
PLUMED:  1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360
PLUMED:  1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385
PLUMED:  1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410
PLUMED:  1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435
PLUMED:  1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460
PLUMED:  1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485
PLUMED:  1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830
PLUMED:  1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855
PLUMED:  1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880
PLUMED:  1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905
PLUMED:  1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930
PLUMED:  1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 1942 1943 1944 1945 1946 1947 1948 1949 1950 1951 1952 1953 1954 1955
PLUMED:  1956 1957 1958 1959 1960 1961 1962 1963 1964 1965 1966 1967 1968 1969 1970 1971 1972 1973 1974 1975 1976 1977 1978 1979 1980
PLUMED:  1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 2321 2322 2323 2324 2325
PLUMED:  2326 2327 2328 2329 2330 2331 2332 2333 2334 2335 2336 2337 2338 2339 2340 2341 2342 2343 2344 2345 2346 2347 2348 2349 2350
PLUMED:  2351 2352 2353 2354 2355 2356 2357 2358 2359 2360 2361 2362 2363 2364 2365 2366 2367 2368 2369 2370 2371 2372 2373 2374 2375
PLUMED:  2376 2377 2378 2379 2380 2381 2382 2383 2384 2385 2386 2387 2388 2389 2390 2391 2392 2393 2394 2395 2396 2397 2398 2399 2400
PLUMED:  2401 2402 2403 2404 2405 2406 2407 2408 2409 2410 2411 2412 2413 2414 2415 2416 2417 2418 2419 2420 2421 2422 2423 2424 2425
PLUMED:  2426 2427 2428 2429 2430 2431 2432 2433 2434 2435 2436 2437 2438 2439 2440 2441 2442 2443 2444 2445 2446 2447 2448 2449 2450
PLUMED:  2451 2452 2453 2454 2455 2456 2457 2458 2459 2460 2461 2462 2463 2464 2465 2466 2467 2468 2469 2470 2471 2472 2473 2474 2475
PLUMED:  2476 2477 2478 2479 2480 2481 2482 2483 2484 2485 2486 2487 2488 2489 2490 2491 2492 2493 2494 2495 2496 2497 2498 2499 2500
PLUMED:  2821 2822 2823 2824 2825 2826 2827 2828 2829 2830 2831 2832 2833 2834 2835 2836 2837 2838 2839 2840 2841 2842 2843 2844 2845
PLUMED:  2846 2847 2848 2849 2850 2851 2852 2853 2854 2855 2856 2857 2858 2859 2860 2861 2862 2863 2864 2865 2866 2867 2868 2869 2870
PLUMED:  2871 2872 2873 2874 2875 2876 2877 2878 2879 2880 2881 2882 2883 2884 2885 2886 2887 2888 2889 2890 2891 2892 2893 2894 2895
PLUMED:  2896 2897 2898 2899 2900 2901 2902 2903 2904 2905 2906 2907 2908 2909 2910 2911 2912 2913 2914 2915 2916 2917 2918 2919 2920
PLUMED:  2921 2922 2923 2924 2925 2926 2927 2928 2929 2930 2931 2932 2933 2934 2935 2936 2937 2938 2939 2940 2941 2942 2943 2944 2945
PLUMED:  2946 2947 2948 2949 2950 2951 2952 2953 2954 2955 2956 2957 2958 2959 2960 2961 2962 2963 2964 2965 2966 2967 2968 2969 2970
PLUMED:  2971 2972 2973 2974 2975 2976 2977 2978 2979 2980 2981 2982 2983 2984 2985 2986 2987 2988 2989 2990 2991 2992 2993 2994 2995
PLUMED:  2996 2997 2998 2999 3000 3321 3322 3323 3324 3325 3326 3327 3328 3329 3330 3331 3332 3333 3334 3335 3336 3337 3338 3339 3340
PLUMED:  3341 3342 3343 3344 3345 3346 3347 3348 3349 3350 3351 3352 3353 3354 3355 3356 3357 3358 3359 3360 3361 3362 3363 3364 3365
PLUMED:  3366 3367 3368 3369 3370 3371 3372 3373 3374 3375 3376 3377 3378 3379 3380 3381 3382 3383 3384 3385 3386 3387 3388 3389 3390
PLUMED:  3391 3392 3393 3394 3395 3396 3397 3398 3399 3400 3401 3402 3403 3404 3405 3406 3407 3408 3409 3410 3411 3412 3413 3414 3415
PLUMED:  3416 3417 3418 3419 3420 3421 3422 3423 3424 3425 3426 3427 3428 3429 3430 3431 3432 3433 3434 3435 3436 3437 3438 3439 3440
PLUMED:  3441 3442 3443 3444 3445 3446 3447 3448 3449 3450 3451 3452 3453 3454 3455 3456 3457 3458 3459 3460 3461 3462 3463 3464 3465
PLUMED:  3466 3467 3468 3469 3470 3471 3472 3473 3474 3475 3476 3477 3478 3479 3480 3481 3482 3483 3484 3485 3486 3487 3488 3489 3490
PLUMED:  3491 3492 3493 3494 3495 3496 3497 3498 3499 3500 3821 3822 3823 3824 3825 3826 3827 3828 3829 3830 3831 3832 3833 3834 3835
PLUMED:  3836 3837 3838 3839 3840 3841 3842 3843 3844 3845 3846 3847 3848 3849 3850 3851 3852 3853 3854 3855 3856 3857 3858 3859 3860
PLUMED:  3861 3862 3863 3864 3865 3866 3867 3868 3869 3870 3871 3872 3873 3874 3875 3876 3877 3878 3879 3880 3881 3882 3883 3884 3885
PLUMED:  3886 3887 3888 3889 3890 3891 3892 3893 3894 3895 3896 3897 3898 3899 3900 3901 3902 3903 3904 3905 3906 3907 3908 3909 3910
PLUMED:  3911 3912 3913 3914 3915 3916 3917 3918 3919 3920 3921 3922 3923 3924 3925 3926 3927 3928 3929 3930 3931 3932 3933 3934 3935
PLUMED:  3936 3937 3938 3939 3940 3941 3942 3943 3944 3945 3946 3947 3948 3949 3950 3951 3952 3953 3954 3955 3956 3957 3958 3959 3960
PLUMED:  3961 3962 3963 3964 3965 3966 3967 3968 3969 3970 3971 3972 3973 3974 3975 3976 3977 3978 3979 3980 3981 3982 3983 3984 3985
PLUMED:  3986 3987 3988 3989 3990 3991 3992 3993 3994 3995 3996 3997 3998 3999 4000
PLUMED: Action GROUP
PLUMED:   with label N
PLUMED:   list of atoms:
PLUMED:  4001
PLUMED: Action GROUP
PLUMED:   with label H
PLUMED:   list of atoms:
PLUMED:  4002 4003 4004
PLUMED: END FILE: ./group_indices.dat
PLUMED: Action DISTANCES
PLUMED:   with label dnh
PLUMED: Action DISTANCE
PLUMED:   with label dnh
PLUMED:   between atoms 4001 4002
PLUMED:   between atoms 4001 4003
PLUMED:   between atoms 4001 4004
PLUMED:   using periodic boundary conditions
PLUMED: Action CUSTOM
PLUMED:   with label dnh_me_min
PLUMED:   with arguments : 
PLUMED:    vector with label dnh 
PLUMED:   with function : exp(20.0/x)
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: exp((20)/(x))
PLUMED:   derivatives as computed by lepton:
PLUMED:     (exp((20)/(x)))*((-20)/(square(x)))
PLUMED: Action SUM
PLUMED:   with label dnh_mec_min
PLUMED:   with arguments : 
PLUMED:    vector with label dnh_me_min 
PLUMED: Action CUSTOM
PLUMED:   with label dnh_min
PLUMED:   with arguments : 
PLUMED:    scalar with label dnh_mec_min 
PLUMED:   with function : 20.0/log(x)
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: (20)/(log(x))
PLUMED:   derivatives as computed by lepton:
PLUMED:     (-20*(recip(x)))/(square(log(x)))
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label dnh_me_max
PLUMED:   with arguments : 
PLUMED:    vector with label dnh 
PLUMED:   with function : exp(x/0.05)
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: exp(20*(x))
PLUMED:   derivatives as computed by lepton:
PLUMED:     20*(exp(20*(x)))
PLUMED: Action SUM
PLUMED:   with label dnh_mec_max
PLUMED:   with arguments : 
PLUMED:    vector with label dnh_me_max 
PLUMED: Action CUSTOM
PLUMED:   with label dnh_max
PLUMED:   with arguments : 
PLUMED:    scalar with label dnh_mec_max 
PLUMED:   with function : 0.05*log(x)
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: 0.05*(log(x))
PLUMED:   derivatives as computed by lepton:
PLUMED:     0.05*(recip(x))
PLUMED: Action COORDINATIONNUMBER
PLUMED:   with label c1
PLUMED: Action GROUP
PLUMED:   with label c1_grp
PLUMED:   list of atoms:
PLUMED:  4001
PLUMED: Action CONTACT_MATRIX
PLUMED:   with label c1_mat
PLUMED: Action CONTACT_MATRIX_PROPER
PLUMED:   with label c1_mat
PLUMED:   atoms in GROUPA 4001 
PLUMED:   atoms in GROUPB 4002 4003 4004 
PLUMED:   Bibliography [3]
PLUMED:   switching function cutoff is 2.  Using rational switching function with parameters d0=0  nn=6 mm=12 
PLUMED:   set link cell cutoff to 13.625841 
PLUMED: Action ONES
PLUMED:   with label c1_ones
PLUMED: Action CONSTANT
PLUMED:   with label c1_ones
PLUMED:   read in 3 values :
PLUMED: Action MATRIX_VECTOR_PRODUCT
PLUMED:   with label c1
PLUMED:   with arguments : 
PLUMED:    matrix with label c1_mat 
PLUMED:    vector with label c1_ones 
PLUMED: Action CUSTOM
PLUMED:   with label c1_me_min
PLUMED:   with arguments : 
PLUMED:    vector with label c1 
PLUMED:   with function : exp(20.0/x)
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: exp((20)/(x))
PLUMED:   derivatives as computed by lepton:
PLUMED:     (exp((20)/(x)))*((-20)/(square(x)))
PLUMED: Action SUM
PLUMED:   with label c1_mec_min
PLUMED:   with arguments : 
PLUMED:    vector with label c1_me_min 
PLUMED: Action CUSTOM
PLUMED:   with label c1_min
PLUMED:   with arguments : 
PLUMED:    scalar with label c1_mec_min 
PLUMED:   with function : 20.0/log(x)
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: (20)/(log(x))
PLUMED:   derivatives as computed by lepton:
PLUMED:     (-20*(recip(x)))/(square(log(x)))
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label c1_me_max
PLUMED:   with arguments : 
PLUMED:    vector with label c1 
PLUMED:   with function : exp(x/0.05)
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: exp(20*(x))
PLUMED:   derivatives as computed by lepton:
PLUMED:     20*(exp(20*(x)))
PLUMED: Action SUM
PLUMED:   with label c1_mec_max
PLUMED:   with arguments : 
PLUMED:    vector with label c1_me_max 
PLUMED: Action CUSTOM
PLUMED:   with label c1_max
PLUMED:   with arguments : 
PLUMED:    scalar with label c1_mec_max 
PLUMED:   with function : 0.05*log(x)
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: 0.05*(log(x))
PLUMED:   derivatives as computed by lepton:
PLUMED:     0.05*(recip(x))
PLUMED: Action COORDINATIONNUMBER
PLUMED:   with label c2
PLUMED: Action GROUP
PLUMED:   with label c2_grp
PLUMED:   list of atoms:
PLUMED:  4001
PLUMED: Action CONTACT_MATRIX
PLUMED:   with label c2_mat
PLUMED: Action CONTACT_MATRIX_PROPER
PLUMED:   with label c2_mat
PLUMED:   atoms in GROUPA 4001 
PLUMED:   atoms in GROUPB 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 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2265 2266 2267 2268 2269 2270 2271 2272 2273 2274 2275 2276 2277 2278 2279 2280 2281 2282 2283 2284 2285 2286 2287 2288 2289 2290 2291 2292 2293 2294 2295 2296 2297 2298 2299 2300 2301 2302 2303 2304 2305 2306 2307 2308 2309 2310 2311 2312 2313 2314 2315 2316 2317 2318 2319 2320 2501 2502 2503 2504 2505 2506 2507 2508 2509 2510 2511 2512 2513 2514 2515 2516 2517 2518 2519 2520 2521 2522 2523 2524 2525 2526 2527 2528 2529 2530 2531 2532 2533 2534 2535 2536 2537 2538 2539 2540 2541 2542 2543 2544 2545 2546 2547 2548 2549 2550 2551 2552 2553 2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 2569 2570 2571 2572 2573 2574 2575 2576 2577 2578 2579 2580 2581 2582 2583 2584 2585 2586 2587 2588 2589 2590 2591 2592 2593 2594 2595 2596 2597 2598 2599 2600 2601 2602 2603 2604 2605 2606 2607 2608 2609 2610 2611 2612 2613 2614 2615 2616 2617 2618 2619 2620 2621 2622 2623 2624 2625 2626 2627 2628 2629 2630 2631 2632 2633 2634 2635 2636 2637 2638 2639 2640 2641 2642 2643 2644 2645 2646 2647 2648 2649 2650 2651 2652 2653 2654 2655 2656 2657 2658 2659 2660 2661 2662 2663 2664 2665 2666 2667 2668 2669 2670 2671 2672 2673 2674 2675 2676 2677 2678 2679 2680 2681 2682 2683 2684 2685 2686 2687 2688 2689 2690 2691 2692 2693 2694 2695 2696 2697 2698 2699 2700 2701 2702 2703 2704 2705 2706 2707 2708 2709 2710 2711 2712 2713 2714 2715 2716 2717 2718 2719 2720 2721 2722 2723 2724 2725 2726 2727 2728 2729 2730 2731 2732 2733 2734 2735 2736 2737 2738 2739 2740 2741 2742 2743 2744 2745 2746 2747 2748 2749 2750 2751 2752 2753 2754 2755 2756 2757 2758 2759 2760 2761 2762 2763 2764 2765 2766 2767 2768 2769 2770 2771 2772 2773 2774 2775 2776 2777 2778 2779 2780 2781 2782 2783 2784 2785 2786 2787 2788 2789 2790 2791 2792 2793 2794 2795 2796 2797 2798 2799 2800 2801 2802 2803 2804 2805 2806 2807 2808 2809 2810 2811 2812 2813 2814 2815 2816 2817 2818 2819 2820 3001 3002 3003 3004 3005 3006 3007 3008 3009 3010 3011 3012 3013 3014 3015 3016 3017 3018 3019 3020 3021 3022 3023 3024 3025 3026 3027 3028 3029 3030 3031 3032 3033 3034 3035 3036 3037 3038 3039 3040 3041 3042 3043 3044 3045 3046 3047 3048 3049 3050 3051 3052 3053 3054 3055 3056 3057 3058 3059 3060 3061 3062 3063 3064 3065 3066 3067 3068 3069 3070 3071 3072 3073 3074 3075 3076 3077 3078 3079 3080 3081 3082 3083 3084 3085 3086 3087 3088 3089 3090 3091 3092 3093 3094 3095 3096 3097 3098 3099 3100 3101 3102 3103 3104 3105 3106 3107 3108 3109 3110 3111 3112 3113 3114 3115 3116 3117 3118 3119 3120 3121 3122 3123 3124 3125 3126 3127 3128 3129 3130 3131 3132 3133 3134 3135 3136 3137 3138 3139 3140 3141 3142 3143 3144 3145 3146 3147 3148 3149 3150 3151 3152 3153 3154 3155 3156 3157 3158 3159 3160 3161 3162 3163 3164 3165 3166 3167 3168 3169 3170 3171 3172 3173 3174 3175 3176 3177 3178 3179 3180 3181 3182 3183 3184 3185 3186 3187 3188 3189 3190 3191 3192 3193 3194 3195 3196 3197 3198 3199 3200 3201 3202 3203 3204 3205 3206 3207 3208 3209 3210 3211 3212 3213 3214 3215 3216 3217 3218 3219 3220 3221 3222 3223 3224 3225 3226 3227 3228 3229 3230 3231 3232 3233 3234 3235 3236 3237 3238 3239 3240 3241 3242 3243 3244 3245 3246 3247 3248 3249 3250 3251 3252 3253 3254 3255 3256 3257 3258 3259 3260 3261 3262 3263 3264 3265 3266 3267 3268 3269 3270 3271 3272 3273 3274 3275 3276 3277 3278 3279 3280 3281 3282 3283 3284 3285 3286 3287 3288 3289 3290 3291 3292 3293 3294 3295 3296 3297 3298 3299 3300 3301 3302 3303 3304 3305 3306 3307 3308 3309 3310 3311 3312 3313 3314 3315 3316 3317 3318 3319 3320 3501 3502 3503 3504 3505 3506 3507 3508 3509 3510 3511 3512 3513 3514 3515 3516 3517 3518 3519 3520 3521 3522 3523 3524 3525 3526 3527 3528 3529 3530 3531 3532 3533 3534 3535 3536 3537 3538 3539 3540 3541 3542 3543 3544 3545 3546 3547 3548 3549 3550 3551 3552 3553 3554 3555 3556 3557 3558 3559 3560 3561 3562 3563 3564 3565 3566 3567 3568 3569 3570 3571 3572 3573 3574 3575 3576 3577 3578 3579 3580 3581 3582 3583 3584 3585 3586 3587 3588 3589 3590 3591 3592 3593 3594 3595 3596 3597 3598 3599 3600 3601 3602 3603 3604 3605 3606 3607 3608 3609 3610 3611 3612 3613 3614 3615 3616 3617 3618 3619 3620 3621 3622 3623 3624 3625 3626 3627 3628 3629 3630 3631 3632 3633 3634 3635 3636 3637 3638 3639 3640 3641 3642 3643 3644 3645 3646 3647 3648 3649 3650 3651 3652 3653 3654 3655 3656 3657 3658 3659 3660 3661 3662 3663 3664 3665 3666 3667 3668 3669 3670 3671 3672 3673 3674 3675 3676 3677 3678 3679 3680 3681 3682 3683 3684 3685 3686 3687 3688 3689 3690 3691 3692 3693 3694 3695 3696 3697 3698 3699 3700 3701 3702 3703 3704 3705 3706 3707 3708 3709 3710 3711 3712 3713 3714 3715 3716 3717 3718 3719 3720 3721 3722 3723 3724 3725 3726 3727 3728 3729 3730 3731 3732 3733 3734 3735 3736 3737 3738 3739 3740 3741 3742 3743 3744 3745 3746 3747 3748 3749 3750 3751 3752 3753 3754 3755 3756 3757 3758 3759 3760 3761 3762 3763 3764 3765 3766 3767 3768 3769 3770 3771 3772 3773 3774 3775 3776 3777 3778 3779 3780 3781 3782 3783 3784 3785 3786 3787 3788 3789 3790 3791 3792 3793 3794 3795 3796 3797 3798 3799 3800 3801 3802 3803 3804 3805 3806 3807 3808 3809 3810 3811 3812 3813 3814 3815 3816 3817 3818 3819 3820 
PLUMED:   Bibliography [3]
PLUMED:   switching function cutoff is 4.  Using rational switching function with parameters d0=0  nn=6 mm=12 
PLUMED:   set link cell cutoff to 27.251683 
PLUMED: Action ONES
PLUMED:   with label c2_ones
PLUMED: Action CONSTANT
PLUMED:   with label c2_ones
PLUMED:   read in 2560 values :
PLUMED: Action MATRIX_VECTOR_PRODUCT
PLUMED:   with label c2
PLUMED:   with arguments : 
PLUMED:    matrix with label c2_mat 
PLUMED:    vector with label c2_ones 
PLUMED: Action CUSTOM
PLUMED:   with label c2_me_min
PLUMED:   with arguments : 
PLUMED:    vector with label c2 
PLUMED:   with function : exp(20.0/x)
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: exp((20)/(x))
PLUMED:   derivatives as computed by lepton:
PLUMED:     (exp((20)/(x)))*((-20)/(square(x)))
PLUMED: Action SUM
PLUMED:   with label c2_mec_min
PLUMED:   with arguments : 
PLUMED:    vector with label c2_me_min 
PLUMED: Action CUSTOM
PLUMED:   with label c2_min
PLUMED:   with arguments : 
PLUMED:    scalar with label c2_mec_min 
PLUMED:   with function : 20.0/log(x)
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: (20)/(log(x))
PLUMED:   derivatives as computed by lepton:
PLUMED:     (-20*(recip(x)))/(square(log(x)))
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action CUSTOM
PLUMED:   with label c2_me_max
PLUMED:   with arguments : 
PLUMED:    vector with label c2 
PLUMED:   with function : exp(x/0.05)
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: exp(20*(x))
PLUMED:   derivatives as computed by lepton:
PLUMED:     20*(exp(20*(x)))
PLUMED: Action SUM
PLUMED:   with label c2_mec_max
PLUMED:   with arguments : 
PLUMED:    vector with label c2_me_max 
PLUMED: Action CUSTOM
PLUMED:   with label c2_max
PLUMED:   with arguments : 
PLUMED:    scalar with label c2_mec_max 
PLUMED:   with function : 0.05*log(x)
PLUMED:   with variables : x
PLUMED:   function as parsed by lepton: 0.05*(log(x))
PLUMED:   derivatives as computed by lepton:
PLUMED:     0.05*(recip(x))
PLUMED: Action COORDINATION
PLUMED:   with label c3
PLUMED:   between two groups of 1 and 1440 atoms
PLUMED:   first group:
PLUMED:   4001  
PLUMED:   second group:
PLUMED:   321  322  323  324  325  326  327  328  329  330  331  332  333  334  335  336  337  338  339  340  341  342  343  344  
PLUMED:   345  346  347  348  349  350  351  352  353  354  355  356  357  358  359  360  361  362  363  364  365  366  367  368  369  
PLUMED:   370  371  372  373  374  375  376  377  378  379  380  381  382  383  384  385  386  387  388  389  390  391  392  393  394  
PLUMED:   395  396  397  398  399  400  401  402  403  404  405  406  407  408  409  410  411  412  413  414  415  416  417  418  419  
PLUMED:   420  421  422  423  424  425  426  427  428  429  430  431  432  433  434  435  436  437  438  439  440  441  442  443  444  
PLUMED:   445  446  447  448  449  450  451  452  453  454  455  456  457  458  459  460  461  462  463  464  465  466  467  468  469  
PLUMED:   470  471  472  473  474  475  476  477  478  479  480  481  482  483  484  485  486  487  488  489  490  491  492  493  494  
PLUMED:   495  496  497  498  499  500  821  822  823  824  825  826  827  828  829  830  831  832  833  834  835  836  837  838  839  
PLUMED:   840  841  842  843  844  845  846  847  848  849  850  851  852  853  854  855  856  857  858  859  860  861  862  863  864  
PLUMED:   865  866  867  868  869  870  871  872  873  874  875  876  877  878  879  880  881  882  883  884  885  886  887  888  889  
PLUMED:   890  891  892  893  894  895  896  897  898  899  900  901  902  903  904  905  906  907  908  909  910  911  912  913  914  
PLUMED:   915  916  917  918  919  920  921  922  923  924  925  926  927  928  929  930  931  932  933  934  935  936  937  938  939  
PLUMED:   940  941  942  943  944  945  946  947  948  949  950  951  952  953  954  955  956  957  958  959  960  961  962  963  964  
PLUMED:   965  966  967  968  969  970  971  972  973  974  975  976  977  978  979  980  981  982  983  984  985  986  987  988  989  
PLUMED:   990  991  992  993  994  995  996  997  998  999  1000  1321  1322  1323  1324  1325  1326  1327  1328  1329  1330  1331  1332  1333  1334  
PLUMED:   1335  1336  1337  1338  1339  1340  1341  1342  1343  1344  1345  1346  1347  1348  1349  1350  1351  1352  1353  1354  1355  1356  1357  1358  1359  
PLUMED:   1360  1361  1362  1363  1364  1365  1366  1367  1368  1369  1370  1371  1372  1373  1374  1375  1376  1377  1378  1379  1380  1381  1382  1383  1384  
PLUMED:   1385  1386  1387  1388  1389  1390  1391  1392  1393  1394  1395  1396  1397  1398  1399  1400  1401  1402  1403  1404  1405  1406  1407  1408  1409  
PLUMED:   1410  1411  1412  1413  1414  1415  1416  1417  1418  1419  1420  1421  1422  1423  1424  1425  1426  1427  1428  1429  1430  1431  1432  1433  1434  
PLUMED:   1435  1436  1437  1438  1439  1440  1441  1442  1443  1444  1445  1446  1447  1448  1449  1450  1451  1452  1453  1454  1455  1456  1457  1458  1459  
PLUMED:   1460  1461  1462  1463  1464  1465  1466  1467  1468  1469  1470  1471  1472  1473  1474  1475  1476  1477  1478  1479  1480  1481  1482  1483  1484  
PLUMED:   1485  1486  1487  1488  1489  1490  1491  1492  1493  1494  1495  1496  1497  1498  1499  1500  1821  1822  1823  1824  1825  1826  1827  1828  1829  
PLUMED:   1830  1831  1832  1833  1834  1835  1836  1837  1838  1839  1840  1841  1842  1843  1844  1845  1846  1847  1848  1849  1850  1851  1852  1853  1854  
PLUMED:   1855  1856  1857  1858  1859  1860  1861  1862  1863  1864  1865  1866  1867  1868  1869  1870  1871  1872  1873  1874  1875  1876  1877  1878  1879  
PLUMED:   1880  1881  1882  1883  1884  1885  1886  1887  1888  1889  1890  1891  1892  1893  1894  1895  1896  1897  1898  1899  1900  1901  1902  1903  1904  
PLUMED:   1905  1906  1907  1908  1909  1910  1911  1912  1913  1914  1915  1916  1917  1918  1919  1920  1921  1922  1923  1924  1925  1926  1927  1928  1929  
PLUMED:   1930  1931  1932  1933  1934  1935  1936  1937  1938  1939  1940  1941  1942  1943  1944  1945  1946  1947  1948  1949  1950  1951  1952  1953  1954  
PLUMED:   1955  1956  1957  1958  1959  1960  1961  1962  1963  1964  1965  1966  1967  1968  1969  1970  1971  1972  1973  1974  1975  1976  1977  1978  1979  
PLUMED:   1980  1981  1982  1983  1984  1985  1986  1987  1988  1989  1990  1991  1992  1993  1994  1995  1996  1997  1998  1999  2000  2321  2322  2323  2324  
PLUMED:   2325  2326  2327  2328  2329  2330  2331  2332  2333  2334  2335  2336  2337  2338  2339  2340  2341  2342  2343  2344  2345  2346  2347  2348  2349  
PLUMED:   2350  2351  2352  2353  2354  2355  2356  2357  2358  2359  2360  2361  2362  2363  2364  2365  2366  2367  2368  2369  2370  2371  2372  2373  2374  
PLUMED:   2375  2376  2377  2378  2379  2380  2381  2382  2383  2384  2385  2386  2387  2388  2389  2390  2391  2392  2393  2394  2395  2396  2397  2398  2399  
PLUMED:   2400  2401  2402  2403  2404  2405  2406  2407  2408  2409  2410  2411  2412  2413  2414  2415  2416  2417  2418  2419  2420  2421  2422  2423  2424  
PLUMED:   2425  2426  2427  2428  2429  2430  2431  2432  2433  2434  2435  2436  2437  2438  2439  2440  2441  2442  2443  2444  2445  2446  2447  2448  2449  
PLUMED:   2450  2451  2452  2453  2454  2455  2456  2457  2458  2459  2460  2461  2462  2463  2464  2465  2466  2467  2468  2469  2470  2471  2472  2473  2474  
PLUMED:   2475  2476  2477  2478  2479  2480  2481  2482  2483  2484  2485  2486  2487  2488  2489  2490  2491  2492  2493  2494  2495  2496  2497  2498  2499  
PLUMED:   2500  2821  2822  2823  2824  2825  2826  2827  2828  2829  2830  2831  2832  2833  2834  2835  2836  2837  2838  2839  2840  2841  2842  2843  2844  
PLUMED:   2845  2846  2847  2848  2849  2850  2851  2852  2853  2854  2855  2856  2857  2858  2859  2860  2861  2862  2863  2864  2865  2866  2867  2868  2869  
PLUMED:   2870  2871  2872  2873  2874  2875  2876  2877  2878  2879  2880  2881  2882  2883  2884  2885  2886  2887  2888  2889  2890  2891  2892  2893  2894  
PLUMED:   2895  2896  2897  2898  2899  2900  2901  2902  2903  2904  2905  2906  2907  2908  2909  2910  2911  2912  2913  2914  2915  2916  2917  2918  2919  
PLUMED:   2920  2921  2922  2923  2924  2925  2926  2927  2928  2929  2930  2931  2932  2933  2934  2935  2936  2937  2938  2939  2940  2941  2942  2943  2944  
PLUMED:   2945  2946  2947  2948  2949  2950  2951  2952  2953  2954  2955  2956  2957  2958  2959  2960  2961  2962  2963  2964  2965  2966  2967  2968  2969  
PLUMED:   2970  2971  2972  2973  2974  2975  2976  2977  2978  2979  2980  2981  2982  2983  2984  2985  2986  2987  2988  2989  2990  2991  2992  2993  2994  
PLUMED:   2995  2996  2997  2998  2999  3000  3321  3322  3323  3324  3325  3326  3327  3328  3329  3330  3331  3332  3333  3334  3335  3336  3337  3338  3339  
PLUMED:   3340  3341  3342  3343  3344  3345  3346  3347  3348  3349  3350  3351  3352  3353  3354  3355  3356  3357  3358  3359  3360  3361  3362  3363  3364  
PLUMED:   3365  3366  3367  3368  3369  3370  3371  3372  3373  3374  3375  3376  3377  3378  3379  3380  3381  3382  3383  3384  3385  3386  3387  3388  3389  
PLUMED:   3390  3391  3392  3393  3394  3395  3396  3397  3398  3399  3400  3401  3402  3403  3404  3405  3406  3407  3408  3409  3410  3411  3412  3413  3414  
PLUMED:   3415  3416  3417  3418  3419  3420  3421  3422  3423  3424  3425  3426  3427  3428  3429  3430  3431  3432  3433  3434  3435  3436  3437  3438  3439  
PLUMED:   3440  3441  3442  3443  3444  3445  3446  3447  3448  3449  3450  3451  3452  3453  3454  3455  3456  3457  3458  3459  3460  3461  3462  3463  3464  
PLUMED:   3465  3466  3467  3468  3469  3470  3471  3472  3473  3474  3475  3476  3477  3478  3479  3480  3481  3482  3483  3484  3485  3486  3487  3488  3489  
PLUMED:   3490  3491  3492  3493  3494  3495  3496  3497  3498  3499  3500  3821  3822  3823  3824  3825  3826  3827  3828  3829  3830  3831  3832  3833  3834  
PLUMED:   3835  3836  3837  3838  3839  3840  3841  3842  3843  3844  3845  3846  3847  3848  3849  3850  3851  3852  3853  3854  3855  3856  3857  3858  3859  
PLUMED:   3860  3861  3862  3863  3864  3865  3866  3867  3868  3869  3870  3871  3872  3873  3874  3875  3876  3877  3878  3879  3880  3881  3882  3883  3884  
PLUMED:   3885  3886  3887  3888  3889  3890  3891  3892  3893  3894  3895  3896  3897  3898  3899  3900  3901  3902  3903  3904  3905  3906  3907  3908  3909  
PLUMED:   3910  3911  3912  3913  3914  3915  3916  3917  3918  3919  3920  3921  3922  3923  3924  3925  3926  3927  3928  3929  3930  3931  3932  3933  3934  
PLUMED:   3935  3936  3937  3938  3939  3940  3941  3942  3943  3944  3945  3946  3947  3948  3949  3950  3951  3952  3953  3954  3955  3956  3957  3958  3959  
PLUMED:   3960  3961  3962  3963  3964  3965  3966  3967  3968  3969  3970  3971  3972  3973  3974  3975  3976  3977  3978  3979  3980  3981  3982  3983  3984  
PLUMED:   3985  3986  3987  3988  3989  3990  3991  3992  3993  3994  3995  3996  3997  3998  3999  4000  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 3.5.  Using rational switching function with parameters d0=0  nn=6 mm=12
PLUMED: Action COORDINATION
PLUMED:   with label c4
PLUMED:   between two groups of 1 and 2560 atoms
PLUMED:   first group:
PLUMED:   4001  
PLUMED:   second group:
PLUMED:   1  2  3  4  5  6  7  8  9  10  11  12  13  14  15  16  17  18  19  20  21  22  23  24  
PLUMED:   25  26  27  28  29  30  31  32  33  34  35  36  37  38  39  40  41  42  43  44  45  46  47  48  49  
PLUMED:   50  51  52  53  54  55  56  57  58  59  60  61  62  63  64  65  66  67  68  69  70  71  72  73  74  
PLUMED:   75  76  77  78  79  80  81  82  83  84  85  86  87  88  89  90  91  92  93  94  95  96  97  98  99  
PLUMED:   100  101  102  103  104  105  106  107  108  109  110  111  112  113  114  115  116  117  118  119  120  121  122  123  124  
PLUMED:   125  126  127  128  129  130  131  132  133  134  135  136  137  138  139  140  141  142  143  144  145  146  147  148  149  
PLUMED:   150  151  152  153  154  155  156  157  158  159  160  161  162  163  164  165  166  167  168  169  170  171  172  173  174  
PLUMED:   175  176  177  178  179  180  181  182  183  184  185  186  187  188  189  190  191  192  193  194  195  196  197  198  199  
PLUMED:   200  201  202  203  204  205  206  207  208  209  210  211  212  213  214  215  216  217  218  219  220  221  222  223  224  
PLUMED:   225  226  227  228  229  230  231  232  233  234  235  236  237  238  239  240  241  242  243  244  245  246  247  248  249  
PLUMED:   250  251  252  253  254  255  256  257  258  259  260  261  262  263  264  265  266  267  268  269  270  271  272  273  274  
PLUMED:   275  276  277  278  279  280  281  282  283  284  285  286  287  288  289  290  291  292  293  294  295  296  297  298  299  
PLUMED:   300  301  302  303  304  305  306  307  308  309  310  311  312  313  314  315  316  317  318  319  320  501  502  503  504  
PLUMED:   505  506  507  508  509  510  511  512  513  514  515  516  517  518  519  520  521  522  523  524  525  526  527  528  529  
PLUMED:   530  531  532  533  534  535  536  537  538  539  540  541  542  543  544  545  546  547  548  549  550  551  552  553  554  
PLUMED:   555  556  557  558  559  560  561  562  563  564  565  566  567  568  569  570  571  572  573  574  575  576  577  578  579  
PLUMED:   580  581  582  583  584  585  586  587  588  589  590  591  592  593  594  595  596  597  598  599  600  601  602  603  604  
PLUMED:   605  606  607  608  609  610  611  612  613  614  615  616  617  618  619  620  621  622  623  624  625  626  627  628  629  
PLUMED:   630  631  632  633  634  635  636  637  638  639  640  641  642  643  644  645  646  647  648  649  650  651  652  653  654  
PLUMED:   655  656  657  658  659  660  661  662  663  664  665  666  667  668  669  670  671  672  673  674  675  676  677  678  679  
PLUMED:   680  681  682  683  684  685  686  687  688  689  690  691  692  693  694  695  696  697  698  699  700  701  702  703  704  
PLUMED:   705  706  707  708  709  710  711  712  713  714  715  716  717  718  719  720  721  722  723  724  725  726  727  728  729  
PLUMED:   730  731  732  733  734  735  736  737  738  739  740  741  742  743  744  745  746  747  748  749  750  751  752  753  754  
PLUMED:   755  756  757  758  759  760  761  762  763  764  765  766  767  768  769  770  771  772  773  774  775  776  777  778  779  
PLUMED:   780  781  782  783  784  785  786  787  788  789  790  791  792  793  794  795  796  797  798  799  800  801  802  803  804  
PLUMED:   805  806  807  808  809  810  811  812  813  814  815  816  817  818  819  820  1001  1002  1003  1004  1005  1006  1007  1008  1009  
PLUMED:   1010  1011  1012  1013  1014  1015  1016  1017  1018  1019  1020  1021  1022  1023  1024  1025  1026  1027  1028  1029  1030  1031  1032  1033  1034  
PLUMED:   1035  1036  1037  1038  1039  1040  1041  1042  1043  1044  1045  1046  1047  1048  1049  1050  1051  1052  1053  1054  1055  1056  1057  1058  1059  
PLUMED:   1060  1061  1062  1063  1064  1065  1066  1067  1068  1069  1070  1071  1072  1073  1074  1075  1076  1077  1078  1079  1080  1081  1082  1083  1084  
PLUMED:   1085  1086  1087  1088  1089  1090  1091  1092  1093  1094  1095  1096  1097  1098  1099  1100  1101  1102  1103  1104  1105  1106  1107  1108  1109  
PLUMED:   1110  1111  1112  1113  1114  1115  1116  1117  1118  1119  1120  1121  1122  1123  1124  1125  1126  1127  1128  1129  1130  1131  1132  1133  1134  
PLUMED:   1135  1136  1137  1138  1139  1140  1141  1142  1143  1144  1145  1146  1147  1148  1149  1150  1151  1152  1153  1154  1155  1156  1157  1158  1159  
PLUMED:   1160  1161  1162  1163  1164  1165  1166  1167  1168  1169  1170  1171  1172  1173  1174  1175  1176  1177  1178  1179  1180  1181  1182  1183  1184  
PLUMED:   1185  1186  1187  1188  1189  1190  1191  1192  1193  1194  1195  1196  1197  1198  1199  1200  1201  1202  1203  1204  1205  1206  1207  1208  1209  
PLUMED:   1210  1211  1212  1213  1214  1215  1216  1217  1218  1219  1220  1221  1222  1223  1224  1225  1226  1227  1228  1229  1230  1231  1232  1233  1234  
PLUMED:   1235  1236  1237  1238  1239  1240  1241  1242  1243  1244  1245  1246  1247  1248  1249  1250  1251  1252  1253  1254  1255  1256  1257  1258  1259  
PLUMED:   1260  1261  1262  1263  1264  1265  1266  1267  1268  1269  1270  1271  1272  1273  1274  1275  1276  1277  1278  1279  1280  1281  1282  1283  1284  
PLUMED:   1285  1286  1287  1288  1289  1290  1291  1292  1293  1294  1295  1296  1297  1298  1299  1300  1301  1302  1303  1304  1305  1306  1307  1308  1309  
PLUMED:   1310  1311  1312  1313  1314  1315  1316  1317  1318  1319  1320  1501  1502  1503  1504  1505  1506  1507  1508  1509  1510  1511  1512  1513  1514  
PLUMED:   1515  1516  1517  1518  1519  1520  1521  1522  1523  1524  1525  1526  1527  1528  1529  1530  1531  1532  1533  1534  1535  1536  1537  1538  1539  
PLUMED:   1540  1541  1542  1543  1544  1545  1546  1547  1548  1549  1550  1551  1552  1553  1554  1555  1556  1557  1558  1559  1560  1561  1562  1563  1564  
PLUMED:   1565  1566  1567  1568  1569  1570  1571  1572  1573  1574  1575  1576  1577  1578  1579  1580  1581  1582  1583  1584  1585  1586  1587  1588  1589  
PLUMED:   1590  1591  1592  1593  1594  1595  1596  1597  1598  1599  1600  1601  1602  1603  1604  1605  1606  1607  1608  1609  1610  1611  1612  1613  1614  
PLUMED:   1615  1616  1617  1618  1619  1620  1621  1622  1623  1624  1625  1626  1627  1628  1629  1630  1631  1632  1633  1634  1635  1636  1637  1638  1639  
PLUMED:   1640  1641  1642  1643  1644  1645  1646  1647  1648  1649  1650  1651  1652  1653  1654  1655  1656  1657  1658  1659  1660  1661  1662  1663  1664  
PLUMED:   1665  1666  1667  1668  1669  1670  1671  1672  1673  1674  1675  1676  1677  1678  1679  1680  1681  1682  1683  1684  1685  1686  1687  1688  1689  
PLUMED:   1690  1691  1692  1693  1694  1695  1696  1697  1698  1699  1700  1701  1702  1703  1704  1705  1706  1707  1708  1709  1710  1711  1712  1713  1714  
PLUMED:   1715  1716  1717  1718  1719  1720  1721  1722  1723  1724  1725  1726  1727  1728  1729  1730  1731  1732  1733  1734  1735  1736  1737  1738  1739  
PLUMED:   1740  1741  1742  1743  1744  1745  1746  1747  1748  1749  1750  1751  1752  1753  1754  1755  1756  1757  1758  1759  1760  1761  1762  1763  1764  
PLUMED:   1765  1766  1767  1768  1769  1770  1771  1772  1773  1774  1775  1776  1777  1778  1779  1780  1781  1782  1783  1784  1785  1786  1787  1788  1789  
PLUMED:   1790  1791  1792  1793  1794  1795  1796  1797  1798  1799  1800  1801  1802  1803  1804  1805  1806  1807  1808  1809  1810  1811  1812  1813  1814  
PLUMED:   1815  1816  1817  1818  1819  1820  2001  2002  2003  2004  2005  2006  2007  2008  2009  2010  2011  2012  2013  2014  2015  2016  2017  2018  2019  
PLUMED:   2020  2021  2022  2023  2024  2025  2026  2027  2028  2029  2030  2031  2032  2033  2034  2035  2036  2037  2038  2039  2040  2041  2042  2043  2044  
PLUMED:   2045  2046  2047  2048  2049  2050  2051  2052  2053  2054  2055  2056  2057  2058  2059  2060  2061  2062  2063  2064  2065  2066  2067  2068  2069  
PLUMED:   2070  2071  2072  2073  2074  2075  2076  2077  2078  2079  2080  2081  2082  2083  2084  2085  2086  2087  2088  2089  2090  2091  2092  2093  2094  
PLUMED:   2095  2096  2097  2098  2099  2100  2101  2102  2103  2104  2105  2106  2107  2108  2109  2110  2111  2112  2113  2114  2115  2116  2117  2118  2119  
PLUMED:   2120  2121  2122  2123  2124  2125  2126  2127  2128  2129  2130  2131  2132  2133  2134  2135  2136  2137  2138  2139  2140  2141  2142  2143  2144  
PLUMED:   2145  2146  2147  2148  2149  2150  2151  2152  2153  2154  2155  2156  2157  2158  2159  2160  2161  2162  2163  2164  2165  2166  2167  2168  2169  
PLUMED:   2170  2171  2172  2173  2174  2175  2176  2177  2178  2179  2180  2181  2182  2183  2184  2185  2186  2187  2188  2189  2190  2191  2192  2193  2194  
PLUMED:   2195  2196  2197  2198  2199  2200  2201  2202  2203  2204  2205  2206  2207  2208  2209  2210  2211  2212  2213  2214  2215  2216  2217  2218  2219  
PLUMED:   2220  2221  2222  2223  2224  2225  2226  2227  2228  2229  2230  2231  2232  2233  2234  2235  2236  2237  2238  2239  2240  2241  2242  2243  2244  
PLUMED:   2245  2246  2247  2248  2249  2250  2251  2252  2253  2254  2255  2256  2257  2258  2259  2260  2261  2262  2263  2264  2265  2266  2267  2268  2269  
PLUMED:   2270  2271  2272  2273  2274  2275  2276  2277  2278  2279  2280  2281  2282  2283  2284  2285  2286  2287  2288  2289  2290  2291  2292  2293  2294  
PLUMED:   2295  2296  2297  2298  2299  2300  2301  2302  2303  2304  2305  2306  2307  2308  2309  2310  2311  2312  2313  2314  2315  2316  2317  2318  2319  
PLUMED:   2320  2501  2502  2503  2504  2505  2506  2507  2508  2509  2510  2511  2512  2513  2514  2515  2516  2517  2518  2519  2520  2521  2522  2523  2524  
PLUMED:   2525  2526  2527  2528  2529  2530  2531  2532  2533  2534  2535  2536  2537  2538  2539  2540  2541  2542  2543  2544  2545  2546  2547  2548  2549  
PLUMED:   2550  2551  2552  2553  2554  2555  2556  2557  2558  2559  2560  2561  2562  2563  2564  2565  2566  2567  2568  2569  2570  2571  2572  2573  2574  
PLUMED:   2575  2576  2577  2578  2579  2580  2581  2582  2583  2584  2585  2586  2587  2588  2589  2590  2591  2592  2593  2594  2595  2596  2597  2598  2599  
PLUMED:   2600  2601  2602  2603  2604  2605  2606  2607  2608  2609  2610  2611  2612  2613  2614  2615  2616  2617  2618  2619  2620  2621  2622  2623  2624  
PLUMED:   2625  2626  2627  2628  2629  2630  2631  2632  2633  2634  2635  2636  2637  2638  2639  2640  2641  2642  2643  2644  2645  2646  2647  2648  2649  
PLUMED:   2650  2651  2652  2653  2654  2655  2656  2657  2658  2659  2660  2661  2662  2663  2664  2665  2666  2667  2668  2669  2670  2671  2672  2673  2674  
PLUMED:   2675  2676  2677  2678  2679  2680  2681  2682  2683  2684  2685  2686  2687  2688  2689  2690  2691  2692  2693  2694  2695  2696  2697  2698  2699  
PLUMED:   2700  2701  2702  2703  2704  2705  2706  2707  2708  2709  2710  2711  2712  2713  2714  2715  2716  2717  2718  2719  2720  2721  2722  2723  2724  
PLUMED:   2725  2726  2727  2728  2729  2730  2731  2732  2733  2734  2735  2736  2737  2738  2739  2740  2741  2742  2743  2744  2745  2746  2747  2748  2749  
PLUMED:   2750  2751  2752  2753  2754  2755  2756  2757  2758  2759  2760  2761  2762  2763  2764  2765  2766  2767  2768  2769  2770  2771  2772  2773  2774  
PLUMED:   2775  2776  2777  2778  2779  2780  2781  2782  2783  2784  2785  2786  2787  2788  2789  2790  2791  2792  2793  2794  2795  2796  2797  2798  2799  
PLUMED:   2800  2801  2802  2803  2804  2805  2806  2807  2808  2809  2810  2811  2812  2813  2814  2815  2816  2817  2818  2819  2820  3001  3002  3003  3004  
PLUMED:   3005  3006  3007  3008  3009  3010  3011  3012  3013  3014  3015  3016  3017  3018  3019  3020  3021  3022  3023  3024  3025  3026  3027  3028  3029  
PLUMED:   3030  3031  3032  3033  3034  3035  3036  3037  3038  3039  3040  3041  3042  3043  3044  3045  3046  3047  3048  3049  3050  3051  3052  3053  3054  
PLUMED:   3055  3056  3057  3058  3059  3060  3061  3062  3063  3064  3065  3066  3067  3068  3069  3070  3071  3072  3073  3074  3075  3076  3077  3078  3079  
PLUMED:   3080  3081  3082  3083  3084  3085  3086  3087  3088  3089  3090  3091  3092  3093  3094  3095  3096  3097  3098  3099  3100  3101  3102  3103  3104  
PLUMED:   3105  3106  3107  3108  3109  3110  3111  3112  3113  3114  3115  3116  3117  3118  3119  3120  3121  3122  3123  3124  3125  3126  3127  3128  3129  
PLUMED:   3130  3131  3132  3133  3134  3135  3136  3137  3138  3139  3140  3141  3142  3143  3144  3145  3146  3147  3148  3149  3150  3151  3152  3153  3154  
PLUMED:   3155  3156  3157  3158  3159  3160  3161  3162  3163  3164  3165  3166  3167  3168  3169  3170  3171  3172  3173  3174  3175  3176  3177  3178  3179  
PLUMED:   3180  3181  3182  3183  3184  3185  3186  3187  3188  3189  3190  3191  3192  3193  3194  3195  3196  3197  3198  3199  3200  3201  3202  3203  3204  
PLUMED:   3205  3206  3207  3208  3209  3210  3211  3212  3213  3214  3215  3216  3217  3218  3219  3220  3221  3222  3223  3224  3225  3226  3227  3228  3229  
PLUMED:   3230  3231  3232  3233  3234  3235  3236  3237  3238  3239  3240  3241  3242  3243  3244  3245  3246  3247  3248  3249  3250  3251  3252  3253  3254  
PLUMED:   3255  3256  3257  3258  3259  3260  3261  3262  3263  3264  3265  3266  3267  3268  3269  3270  3271  3272  3273  3274  3275  3276  3277  3278  3279  
PLUMED:   3280  3281  3282  3283  3284  3285  3286  3287  3288  3289  3290  3291  3292  3293  3294  3295  3296  3297  3298  3299  3300  3301  3302  3303  3304  
PLUMED:   3305  3306  3307  3308  3309  3310  3311  3312  3313  3314  3315  3316  3317  3318  3319  3320  3501  3502  3503  3504  3505  3506  3507  3508  3509  
PLUMED:   3510  3511  3512  3513  3514  3515  3516  3517  3518  3519  3520  3521  3522  3523  3524  3525  3526  3527  3528  3529  3530  3531  3532  3533  3534  
PLUMED:   3535  3536  3537  3538  3539  3540  3541  3542  3543  3544  3545  3546  3547  3548  3549  3550  3551  3552  3553  3554  3555  3556  3557  3558  3559  
PLUMED:   3560  3561  3562  3563  3564  3565  3566  3567  3568  3569  3570  3571  3572  3573  3574  3575  3576  3577  3578  3579  3580  3581  3582  3583  3584  
PLUMED:   3585  3586  3587  3588  3589  3590  3591  3592  3593  3594  3595  3596  3597  3598  3599  3600  3601  3602  3603  3604  3605  3606  3607  3608  3609  
PLUMED:   3610  3611  3612  3613  3614  3615  3616  3617  3618  3619  3620  3621  3622  3623  3624  3625  3626  3627  3628  3629  3630  3631  3632  3633  3634  
PLUMED:   3635  3636  3637  3638  3639  3640  3641  3642  3643  3644  3645  3646  3647  3648  3649  3650  3651  3652  3653  3654  3655  3656  3657  3658  3659  
PLUMED:   3660  3661  3662  3663  3664  3665  3666  3667  3668  3669  3670  3671  3672  3673  3674  3675  3676  3677  3678  3679  3680  3681  3682  3683  3684  
PLUMED:   3685  3686  3687  3688  3689  3690  3691  3692  3693  3694  3695  3696  3697  3698  3699  3700  3701  3702  3703  3704  3705  3706  3707  3708  3709  
PLUMED:   3710  3711  3712  3713  3714  3715  3716  3717  3718  3719  3720  3721  3722  3723  3724  3725  3726  3727  3728  3729  3730  3731  3732  3733  3734  
PLUMED:   3735  3736  3737  3738  3739  3740  3741  3742  3743  3744  3745  3746  3747  3748  3749  3750  3751  3752  3753  3754  3755  3756  3757  3758  3759  
PLUMED:   3760  3761  3762  3763  3764  3765  3766  3767  3768  3769  3770  3771  3772  3773  3774  3775  3776  3777  3778  3779  3780  3781  3782  3783  3784  
PLUMED:   3785  3786  3787  3788  3789  3790  3791  3792  3793  3794  3795  3796  3797  3798  3799  3800  3801  3802  3803  3804  3805  3806  3807  3808  3809  
PLUMED:   3810  3811  3812  3813  3814  3815  3816  3817  3818  3819  3820  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 3.5.  Using rational switching function with parameters d0=0  nn=6 mm=12
PLUMED: Action CUSTOM
PLUMED:   with label cnali
PLUMED:   with arguments : 
PLUMED:    scalar with label c3 
PLUMED:    scalar with label c4 
PLUMED:   with function : y-x
PLUMED:   with variables : x y
PLUMED:   function as parsed by lepton: (y)-(x)
PLUMED:   derivatives as computed by lepton:
PLUMED:     -1
PLUMED:     1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action COORDINATION
PLUMED:   with label cnh1
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   4001  
PLUMED:   second group:
PLUMED:   4002  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 2.  Using rational switching function with parameters d0=0  nn=6 mm=12
PLUMED: Action COORDINATION
PLUMED:   with label cnh2
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   4001  
PLUMED:   second group:
PLUMED:   4003  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 2.  Using rational switching function with parameters d0=0  nn=6 mm=12
PLUMED: Action COORDINATION
PLUMED:   with label cnh3
PLUMED:   between two groups of 1 and 1 atoms
PLUMED:   first group:
PLUMED:   4001  
PLUMED:   second group:
PLUMED:   4004  
PLUMED:   using periodic boundary conditions
PLUMED:   contacts are counted with cutoff 2.  Using rational switching function with parameters d0=0  nn=6 mm=12
PLUMED: Action CUSTOM
PLUMED:   with label ctot
PLUMED:   with arguments : 
PLUMED:    scalar with label cnh1 
PLUMED:    scalar with label cnh2 
PLUMED:    scalar with label cnh3 
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:     1
PLUMED:     1
PLUMED:     1
PLUMED:   not calculating when all arguments are zero 
PLUMED: Action UPPER_WALLS
PLUMED:   with label uwall
PLUMED:   with arguments : 
PLUMED:    scalar with label dnh_max 
PLUMED:   added component to this action: uwall.bias 
PLUMED:   at 6.000000
PLUMED:   with an offset 0.000000
PLUMED:   with force constant 200.000000
PLUMED:   and exponent 2.000000
PLUMED:   rescaled 1.000000
PLUMED:   added component to this action: uwall.force2 
PLUMED: Action OPES_METAD_EXPLORE
PLUMED:   with label opes1
PLUMED:   with arguments : 
PLUMED:    scalar with label ctot 
PLUMED:   added component to this action: opes1.bias 
PLUMED: WARNING for action OPES_METAD_EXPLORE with label opes1 : using TEMP=600 while MD engine uses 299.478
PLUMED:  
PLUMED:   added component to this action: opes1.rct 
PLUMED:   added component to this action: opes1.zed 
PLUMED:   added component to this action: opes1.neff 
PLUMED:   added component to this action: opes1.nker 
PLUMED:   temperature = 600
PLUMED:   beta = 0.200454
PLUMED:   depositing new kernels with PACE = 200
PLUMED:   expected BARRIER is 250
PLUMED:   using target distribution with BIASFACTOR gamma = 50.1135
PLUMED:   adaptive SIGMA will be used, with ADAPTIVE_SIGMA_STRIDE = 2000
PLUMED:     thus the first x kernel depositions will be skipped, x = ADAPTIVE_SIGMA_STRIDE/PACE = 10
PLUMED:   kernels are truncated with KERNELS_CUTOFF = 10.0113
PLUMED:   the value at cutoff is = 1.72183e-22
PLUMED:   regularization EPSILON = 0.360465
PLUMED:   kernels will be compressed when closer than COMPRESSION_THRESHOLD = 1
PLUMED:   Bibliography: [4][5]
PLUMED: Action OPES_METAD_EXPLORE
PLUMED:   with label opes2
PLUMED:   with arguments : 
PLUMED:    scalar with label c4 
PLUMED:   added component to this action: opes2.bias 
PLUMED: WARNING for action OPES_METAD_EXPLORE with label opes2 : using TEMP=600 while MD engine uses 299.478
PLUMED:  
PLUMED:   added component to this action: opes2.rct 
PLUMED:   added component to this action: opes2.zed 
PLUMED:   added component to this action: opes2.neff 
PLUMED:   added component to this action: opes2.nker 
PLUMED:   temperature = 600
PLUMED:   beta = 0.200454
PLUMED:   depositing new kernels with PACE = 500
PLUMED:   expected BARRIER is 80
PLUMED:   using target distribution with BIASFACTOR gamma = 16.0363
PLUMED:   adaptive SIGMA will be used, with ADAPTIVE_SIGMA_STRIDE = 5000
PLUMED:     thus the first x kernel depositions will be skipped, x = ADAPTIVE_SIGMA_STRIDE/PACE = 10
PLUMED:   kernels are truncated with KERNELS_CUTOFF = 5.66327
PLUMED:   the value at cutoff is = 1.08522e-07
PLUMED:   regularization EPSILON = 0.344209
PLUMED:   kernels will be compressed when closer than COMPRESSION_THRESHOLD = 1
PLUMED:   Bibliography: [4][5]
PLUMED: Action PRINT
PLUMED:   with label @68
PLUMED:   with stride 50
PLUMED:   with arguments : 
PLUMED:    vector with label dnh 
PLUMED:    vector with label dnh_me_min 
PLUMED:    scalar with label dnh_mec_min 
PLUMED:    scalar with label dnh_min 
PLUMED:    vector with label dnh_me_max 
PLUMED:    scalar with label dnh_mec_max 
PLUMED:    scalar with label dnh_max 
PLUMED:    matrix with label c1_mat 
PLUMED:    vector with label c1_ones 
PLUMED:    vector with label c1 
PLUMED:    vector with label c1_me_min 
PLUMED:    scalar with label c1_mec_min 
PLUMED:    scalar with label c1_min 
PLUMED:    vector with label c1_me_max 
PLUMED:    scalar with label c1_mec_max 
PLUMED:    scalar with label c1_max 
PLUMED:    matrix with label c2_mat 
PLUMED:    vector with label c2_ones 
PLUMED:    vector with label c2 
PLUMED:    vector with label c2_me_min 
PLUMED:    scalar with label c2_mec_min 
PLUMED:    scalar with label c2_min 
PLUMED:    vector with label c2_me_max 
PLUMED:    scalar with label c2_mec_max 
PLUMED:    scalar with label c2_max 
PLUMED:    scalar with label c3 
PLUMED:    scalar with label c4 
PLUMED:    scalar with label cnali 
PLUMED:    scalar with label cnh1 
PLUMED:    scalar with label cnh2 
PLUMED:    scalar with label cnh3 
PLUMED:    scalar with label ctot 
PLUMED:    scalar with label uwall.bias 
PLUMED:    scalar with label uwall.force2 
PLUMED:    scalar with label opes1.bias 
PLUMED:    scalar with label opes1.rct 
PLUMED:    scalar with label opes1.zed 
PLUMED:    scalar with label opes1.neff 
PLUMED:    scalar with label opes1.nker 
PLUMED:    scalar with label opes2.bias 
PLUMED:    scalar with label opes2.rct 
PLUMED:    scalar with label opes2.zed 
PLUMED:    scalar with label opes2.neff 
PLUMED:    scalar with label opes2.nker 
PLUMED:   on file COLVAR
PLUMED:   with format  %f
PLUMED: Action FLUSH
PLUMED:   with label @69
PLUMED:   with stride 1
PLUMED: END FILE: plumed.dat
PLUMED: Timestep: 1000.000000
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] Tribello, Giberti, Sosso, Salvalaglio and Parrinello, J. Chem. Theory Comput. 13, 1317 (2017)
PLUMED:   [4] M. Invernizzi and M. Parrinello, J. Phys. Chem. Lett. 11, 2731-2736 (2020)
PLUMED:   [5] M. Invernizzi and M. Parrinello, J. Chem. Theory Comput. 18, 3988-3996 (2022)
PLUMED: Please read and cite where appropriate!
PLUMED: Finished setup
PLUMED:                                               Cycles        Total      Average      Minimum      Maximum
PLUMED:                                                    1     0.021574     0.021574     0.021574     0.021574
