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: A2G2S2_longbox.dat
PLUMED: Action COM
PLUMED:   with label com1
PLUMED:   added component to this action:  com1.x 
PLUMED:   added component to this action:  com1.y 
PLUMED:   added component to this action:  com1.z 
PLUMED:   added component to this action:  com1.mass 
PLUMED:   added component to this action:  com1.charge 
PLUMED:   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
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action COM
PLUMED:   with label com2
PLUMED:   added component to this action:  com2.x 
PLUMED:   added component to this action:  com2.y 
PLUMED:   added component to this action:  com2.z 
PLUMED:   added component to this action:  com2.mass 
PLUMED:   added component to this action:  com2.charge 
PLUMED:   of atoms:
PLUMED:  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
PLUMED:  314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338
PLUMED:  339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363
PLUMED:  364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388
PLUMED:  389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413
PLUMED:  414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438
PLUMED:  439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463
PLUMED:  464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488
PLUMED:  489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513
PLUMED:  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
PLUMED:  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
PLUMED:  564 565 566 567 568 569 570 571 572 573 574 575 576
PLUMED:   mass weighted
PLUMED:   broken molecules will be rebuilt assuming atoms are in the proper order
PLUMED: Action POSITION
PLUMED:   with label p1
PLUMED:   for atom 100001
PLUMED:   added component to this action:  p1.a 
PLUMED:   added component to this action:  p1.b 
PLUMED:   added component to this action:  p1.c 
PLUMED:   using periodic boundary conditions
PLUMED: Action POSITION
PLUMED:   with label p2
PLUMED:   for atom 100002
PLUMED:   added component to this action:  p2.a 
PLUMED:   added component to this action:  p2.b 
PLUMED:   added component to this action:  p2.c 
PLUMED:   using periodic boundary conditions
PLUMED: Action RESTRAINT
PLUMED:   with label restraint
PLUMED: Action RESTRAINT_SCALAR
PLUMED:   with label restraint
PLUMED:   with arguments : 
PLUMED:    scalar with label p1.a 
PLUMED:    scalar with label p1.b 
PLUMED:    scalar with label p2.a 
PLUMED:    scalar with label p2.b 
PLUMED:   added component to this action:  restraint.bias 
PLUMED:   at 0.500000 0.500000 0.500000 0.500000
PLUMED:   with harmonic force constant 500.000000 500.000000 500.000000 500.000000
PLUMED:   and linear force constant 0.000000 0.000000 0.000000 0.000000
PLUMED:   added component to this action:  restraint.force2 
PLUMED: Action DISTANCE
PLUMED:   with label distance
PLUMED:   between atoms 100001 100002
PLUMED:   using periodic boundary conditions
PLUMED: Action DISTANCE
PLUMED:   with label ds
PLUMED:   between atoms 100001 100002
PLUMED:   using periodic boundary conditions
PLUMED:   added component to this action:  ds.a 
PLUMED:   added component to this action:  ds.b 
PLUMED:   added component to this action:  ds.c 
PLUMED: Action COMBINE
PLUMED:   with label dsz
PLUMED:   with arguments : 
PLUMED:    scalar with label ds.c 
PLUMED:   with coefficients: 1.000000
PLUMED:   with parameters: 0.000000
PLUMED:   and powers: 1.000000
PLUMED: Action METAD
PLUMED:   with label bias
PLUMED:   with arguments : 
PLUMED:    scalar with label dsz 
PLUMED:   added component to this action:  bias.bias 
PLUMED:   You are using RECT
PLUMED:   Gaussian width  1.000000  Gaussian height 311.792329
PLUMED:   Gaussian deposition pace 500
PLUMED:   Gaussian file HILLS_distance
PLUMED:   Well-Tempered Bias Factor 1.000000
PLUMED:   Hills relaxation time (tau) 4.000000
PLUMED:   KbT 2.494339
PLUMED:   Grid min -0.5
PLUMED:   Grid max 0.5
PLUMED:   Grid bin 100
PLUMED:   Grid uses spline interpolation
PLUMED:   added component to this action:  bias.rbias 
PLUMED:   added component to this action:  bias.rct 
PLUMED:   The c(t) reweighting factor will be calculated every 1 hills
PLUMED:   You are using RECT
PLUMED:   Bibliography [3][4][5][6]
PLUMED: Action PRINT
PLUMED:   with label @15
PLUMED:   with stride 5000
PLUMED:   with arguments : 
PLUMED:    scalar with label distance 
PLUMED:    scalar with label ds.a 
PLUMED:    scalar with label ds.b 
PLUMED:    scalar with label ds.c 
PLUMED:    scalar with label dsz 
PLUMED:   on file COLVAR
PLUMED:   with format  %f
PLUMED: Action PRINT
PLUMED:   with label @16
PLUMED:   with stride 5000
PLUMED:   with arguments : 
PLUMED:    scalar with label p1.a 
PLUMED:    scalar with label p1.b 
PLUMED:    scalar with label p1.c 
PLUMED:    scalar with label p2.a 
PLUMED:    scalar with label p2.b 
PLUMED:    scalar with label p2.c 
PLUMED:    scalar with label restraint.bias 
PLUMED:    scalar with label restraint.force2 
PLUMED:    scalar with label bias.bias 
PLUMED:    scalar with label bias.rbias 
PLUMED:    scalar with label bias.rct 
PLUMED:   on file BIAS
PLUMED:   with format  %f
PLUMED: END FILE: A2G2S2_longbox.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] Laio and Parrinello, PNAS 99, 12562 (2002)
PLUMED:   [4] Barducci, Bussi, and Parrinello, Phys. Rev. Lett. 100, 020603 (2008)
PLUMED:   [5] Pratyush and Parrinello, J. Phys. Chem. B, 119, 736 (2015)
PLUMED:   [6] Gil-Ley and Bussi, J. Chem. Theory Comput. 11, 1077 (2015)
PLUMED: Please read and cite where appropriate!
PLUMED: Finished setup
PLUMED:                                               Cycles        Total      Average      Minimum      Maximum
PLUMED:                                                    1     0.015329     0.015329     0.015329     0.015329
