Project ID: plumID:21.023
Source: Data-ala3/ala3-vacuum-pt/plumed.dat
Originally used with PLUMED version: 2.7
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

Click on the labels of the actions for more information on what each action computes
tested onv2.10
tested onmaster
# vim:ft=plumedEnables syntax highlighting for PLUMED files in vim. See here for more details. 

energy: ENERGYCalculate the total potential energy of the simulation box. More details phi-1: TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=5,7,9,15 NOPBC ignore the periodic boundary conditions when calculating distances psi-1: TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=7,9,15,17 NOPBC ignore the periodic boundary conditions when calculating distances phi-2: TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=15,17,19,25 NOPBC ignore the periodic boundary conditions when calculating distances psi-2: TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=17,19,25,27 NOPBC ignore the periodic boundary conditions when calculating distances phi-3: TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=25,27,29,35 NOPBC ignore the periodic boundary conditions when calculating distances psi-3: TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=27,29,35,37 NOPBC ignore the periodic boundary conditions when calculating distances
d1: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,5 NOPBC ignore the periodic boundary conditions when calculating distances d2: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,6 NOPBC ignore the periodic boundary conditions when calculating distances d3: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,7 NOPBC ignore the periodic boundary conditions when calculating distances d4: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,9 NOPBC ignore the periodic boundary conditions when calculating distances d5: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,11 NOPBC ignore the periodic boundary conditions when calculating distances d6: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,15 NOPBC ignore the periodic boundary conditions when calculating distances d7: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,16 NOPBC ignore the periodic boundary conditions when calculating distances d8: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,17 NOPBC ignore the periodic boundary conditions when calculating distances d9: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,19 NOPBC ignore the periodic boundary conditions when calculating distances d10: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,21 NOPBC ignore the periodic boundary conditions when calculating distances d11: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,25 NOPBC ignore the periodic boundary conditions when calculating distances d12: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,26 NOPBC ignore the periodic boundary conditions when calculating distances d13: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,27 NOPBC ignore the periodic boundary conditions when calculating distances d14: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,29 NOPBC ignore the periodic boundary conditions when calculating distances d15: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,31 NOPBC ignore the periodic boundary conditions when calculating distances d16: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,35 NOPBC ignore the periodic boundary conditions when calculating distances d17: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,36 NOPBC ignore the periodic boundary conditions when calculating distances d18: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,37 NOPBC ignore the periodic boundary conditions when calculating distances d19: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,39 NOPBC ignore the periodic boundary conditions when calculating distances d20: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,6 NOPBC ignore the periodic boundary conditions when calculating distances d21: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,7 NOPBC ignore the periodic boundary conditions when calculating distances d22: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,9 NOPBC ignore the periodic boundary conditions when calculating distances d23: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,11 NOPBC ignore the periodic boundary conditions when calculating distances d24: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,15 NOPBC ignore the periodic boundary conditions when calculating distances d25: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,16 NOPBC ignore the periodic boundary conditions when calculating distances d26: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,17 NOPBC ignore the periodic boundary conditions when calculating distances d27: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,19 NOPBC ignore the periodic boundary conditions when calculating distances d28: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,21 NOPBC ignore the periodic boundary conditions when calculating distances d29: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,25 NOPBC ignore the periodic boundary conditions when calculating distances d30: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,26 NOPBC ignore the periodic boundary conditions when calculating distances d31: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,27 NOPBC ignore the periodic boundary conditions when calculating distances d32: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,29 NOPBC ignore the periodic boundary conditions when calculating distances d33: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,31 NOPBC ignore the periodic boundary conditions when calculating distances d34: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,35 NOPBC ignore the periodic boundary conditions when calculating distances d35: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,36 NOPBC ignore the periodic boundary conditions when calculating distances d36: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,37 NOPBC ignore the periodic boundary conditions when calculating distances d37: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,39 NOPBC ignore the periodic boundary conditions when calculating distances d38: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,7 NOPBC ignore the periodic boundary conditions when calculating distances d39: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,9 NOPBC ignore the periodic boundary conditions when calculating distances d40: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,11 NOPBC ignore the periodic boundary conditions when calculating distances d41: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,15 NOPBC ignore the periodic boundary conditions when calculating distances d42: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,16 NOPBC ignore the periodic boundary conditions when calculating distances d43: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,17 NOPBC ignore the periodic boundary conditions when calculating distances d44: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,19 NOPBC ignore the periodic boundary conditions when calculating distances d45: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,21 NOPBC ignore the periodic boundary conditions when calculating distances d46: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,25 NOPBC ignore the periodic boundary conditions when calculating distances d47: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,26 NOPBC ignore the periodic boundary conditions when calculating distances d48: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,27 NOPBC ignore the periodic boundary conditions when calculating distances d49: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,29 NOPBC ignore the periodic boundary conditions when calculating distances d50: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,31 NOPBC ignore the periodic boundary conditions when calculating distances d51: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,35 NOPBC ignore the periodic boundary conditions when calculating distances d52: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,36 NOPBC ignore the periodic boundary conditions when calculating distances d53: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,37 NOPBC ignore the periodic boundary conditions when calculating distances d54: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,39 NOPBC ignore the periodic boundary conditions when calculating distances d55: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,9 NOPBC ignore the periodic boundary conditions when calculating distances d56: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,11 NOPBC ignore the periodic boundary conditions when calculating distances d57: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,15 NOPBC ignore the periodic boundary conditions when calculating distances d58: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,16 NOPBC ignore the periodic boundary conditions when calculating distances d59: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,17 NOPBC ignore the periodic boundary conditions when calculating distances d60: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,19 NOPBC ignore the periodic boundary conditions when calculating distances d61: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,21 NOPBC ignore the periodic boundary conditions when calculating distances d62: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,25 NOPBC ignore the periodic boundary conditions when calculating distances d63: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,26 NOPBC ignore the periodic boundary conditions when calculating distances d64: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,27 NOPBC ignore the periodic boundary conditions when calculating distances d65: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,29 NOPBC ignore the periodic boundary conditions when calculating distances d66: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,31 NOPBC ignore the periodic boundary conditions when calculating distances d67: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,35 NOPBC ignore the periodic boundary conditions when calculating distances d68: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,36 NOPBC ignore the periodic boundary conditions when calculating distances d69: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,37 NOPBC ignore the periodic boundary conditions when calculating distances d70: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,39 NOPBC ignore the periodic boundary conditions when calculating distances d71: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,11 NOPBC ignore the periodic boundary conditions when calculating distances d72: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,15 NOPBC ignore the periodic boundary conditions when calculating distances d73: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,16 NOPBC ignore the periodic boundary conditions when calculating distances d74: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,17 NOPBC ignore the periodic boundary conditions when calculating distances d75: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,19 NOPBC ignore the periodic boundary conditions when calculating distances d76: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,21 NOPBC ignore the periodic boundary conditions when calculating distances d77: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,25 NOPBC ignore the periodic boundary conditions when calculating distances d78: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,26 NOPBC ignore the periodic boundary conditions when calculating distances d79: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,27 NOPBC ignore the periodic boundary conditions when calculating distances d80: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,29 NOPBC ignore the periodic boundary conditions when calculating distances d81: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,31 NOPBC ignore the periodic boundary conditions when calculating distances d82: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,35 NOPBC ignore the periodic boundary conditions when calculating distances d83: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,36 NOPBC ignore the periodic boundary conditions when calculating distances d84: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,37 NOPBC ignore the periodic boundary conditions when calculating distances d85: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,39 NOPBC ignore the periodic boundary conditions when calculating distances d86: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,15 NOPBC ignore the periodic boundary conditions when calculating distances d87: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,16 NOPBC ignore the periodic boundary conditions when calculating distances d88: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,17 NOPBC ignore the periodic boundary conditions when calculating distances d89: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,19 NOPBC ignore the periodic boundary conditions when calculating distances d90: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,21 NOPBC ignore the periodic boundary conditions when calculating distances d91: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,25 NOPBC ignore the periodic boundary conditions when calculating distances d92: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,26 NOPBC ignore the periodic boundary conditions when calculating distances d93: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,27 NOPBC ignore the periodic boundary conditions when calculating distances d94: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,29 NOPBC ignore the periodic boundary conditions when calculating distances d95: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,31 NOPBC ignore the periodic boundary conditions when calculating distances d96: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,35 NOPBC ignore the periodic boundary conditions when calculating distances d97: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,36 NOPBC ignore the periodic boundary conditions when calculating distances d98: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,37 NOPBC ignore the periodic boundary conditions when calculating distances d99: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,39 NOPBC ignore the periodic boundary conditions when calculating distances d100: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,16 NOPBC ignore the periodic boundary conditions when calculating distances d101: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,17 NOPBC ignore the periodic boundary conditions when calculating distances d102: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,19 NOPBC ignore the periodic boundary conditions when calculating distances d103: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,21 NOPBC ignore the periodic boundary conditions when calculating distances d104: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,25 NOPBC ignore the periodic boundary conditions when calculating distances d105: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,26 NOPBC ignore the periodic boundary conditions when calculating distances d106: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,27 NOPBC ignore the periodic boundary conditions when calculating distances d107: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,29 NOPBC ignore the periodic boundary conditions when calculating distances d108: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,31 NOPBC ignore the periodic boundary conditions when calculating distances d109: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,35 NOPBC ignore the periodic boundary conditions when calculating distances d110: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,36 NOPBC ignore the periodic boundary conditions when calculating distances d111: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,37 NOPBC ignore the periodic boundary conditions when calculating distances d112: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,39 NOPBC ignore the periodic boundary conditions when calculating distances d113: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,17 NOPBC ignore the periodic boundary conditions when calculating distances d114: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,19 NOPBC ignore the periodic boundary conditions when calculating distances d115: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,21 NOPBC ignore the periodic boundary conditions when calculating distances d116: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,25 NOPBC ignore the periodic boundary conditions when calculating distances d117: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,26 NOPBC ignore the periodic boundary conditions when calculating distances d118: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,27 NOPBC ignore the periodic boundary conditions when calculating distances d119: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,29 NOPBC ignore the periodic boundary conditions when calculating distances d120: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,31 NOPBC ignore the periodic boundary conditions when calculating distances d121: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,35 NOPBC ignore the periodic boundary conditions when calculating distances d122: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,36 NOPBC ignore the periodic boundary conditions when calculating distances d123: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,37 NOPBC ignore the periodic boundary conditions when calculating distances d124: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,39 NOPBC ignore the periodic boundary conditions when calculating distances d125: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=17,19 NOPBC ignore the periodic boundary conditions when calculating distances d126: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=17,21 NOPBC ignore the periodic boundary conditions when calculating distances d127: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=17,25 NOPBC ignore the periodic boundary conditions when calculating distances d128: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=17,26 NOPBC ignore the periodic boundary conditions when calculating distances d129: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=17,27 NOPBC ignore the periodic boundary conditions when calculating distances d130: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=17,29 NOPBC ignore the periodic boundary conditions when calculating distances d131: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=17,31 NOPBC ignore the periodic boundary conditions when calculating distances d132: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=17,35 NOPBC ignore the periodic boundary conditions when calculating distances d133: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=17,36 NOPBC ignore the periodic boundary conditions when calculating distances d134: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=17,37 NOPBC ignore the periodic boundary conditions when calculating distances d135: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=17,39 NOPBC ignore the periodic boundary conditions when calculating distances d136: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=19,21 NOPBC ignore the periodic boundary conditions when calculating distances d137: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=19,25 NOPBC ignore the periodic boundary conditions when calculating distances d138: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=19,26 NOPBC ignore the periodic boundary conditions when calculating distances d139: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=19,27 NOPBC ignore the periodic boundary conditions when calculating distances d140: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=19,29 NOPBC ignore the periodic boundary conditions when calculating distances d141: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=19,31 NOPBC ignore the periodic boundary conditions when calculating distances d142: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=19,35 NOPBC ignore the periodic boundary conditions when calculating distances d143: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=19,36 NOPBC ignore the periodic boundary conditions when calculating distances d144: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=19,37 NOPBC ignore the periodic boundary conditions when calculating distances d145: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=19,39 NOPBC ignore the periodic boundary conditions when calculating distances d146: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=21,25 NOPBC ignore the periodic boundary conditions when calculating distances d147: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=21,26 NOPBC ignore the periodic boundary conditions when calculating distances d148: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=21,27 NOPBC ignore the periodic boundary conditions when calculating distances d149: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=21,29 NOPBC ignore the periodic boundary conditions when calculating distances d150: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=21,31 NOPBC ignore the periodic boundary conditions when calculating distances d151: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=21,35 NOPBC ignore the periodic boundary conditions when calculating distances d152: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=21,36 NOPBC ignore the periodic boundary conditions when calculating distances d153: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=21,37 NOPBC ignore the periodic boundary conditions when calculating distances d154: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=21,39 NOPBC ignore the periodic boundary conditions when calculating distances d155: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=25,26 NOPBC ignore the periodic boundary conditions when calculating distances d156: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=25,27 NOPBC ignore the periodic boundary conditions when calculating distances d157: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=25,29 NOPBC ignore the periodic boundary conditions when calculating distances d158: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=25,31 NOPBC ignore the periodic boundary conditions when calculating distances d159: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=25,35 NOPBC ignore the periodic boundary conditions when calculating distances d160: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=25,36 NOPBC ignore the periodic boundary conditions when calculating distances d161: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=25,37 NOPBC ignore the periodic boundary conditions when calculating distances d162: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=25,39 NOPBC ignore the periodic boundary conditions when calculating distances d163: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=26,27 NOPBC ignore the periodic boundary conditions when calculating distances d164: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=26,29 NOPBC ignore the periodic boundary conditions when calculating distances d165: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=26,31 NOPBC ignore the periodic boundary conditions when calculating distances d166: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=26,35 NOPBC ignore the periodic boundary conditions when calculating distances d167: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=26,36 NOPBC ignore the periodic boundary conditions when calculating distances d168: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=26,37 NOPBC ignore the periodic boundary conditions when calculating distances d169: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=26,39 NOPBC ignore the periodic boundary conditions when calculating distances d170: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=27,29 NOPBC ignore the periodic boundary conditions when calculating distances d171: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=27,31 NOPBC ignore the periodic boundary conditions when calculating distances d172: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=27,35 NOPBC ignore the periodic boundary conditions when calculating distances d173: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=27,36 NOPBC ignore the periodic boundary conditions when calculating distances d174: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=27,37 NOPBC ignore the periodic boundary conditions when calculating distances d175: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=27,39 NOPBC ignore the periodic boundary conditions when calculating distances d176: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=29,31 NOPBC ignore the periodic boundary conditions when calculating distances d177: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=29,35 NOPBC ignore the periodic boundary conditions when calculating distances d178: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=29,36 NOPBC ignore the periodic boundary conditions when calculating distances d179: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=29,37 NOPBC ignore the periodic boundary conditions when calculating distances d180: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=29,39 NOPBC ignore the periodic boundary conditions when calculating distances d181: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=31,35 NOPBC ignore the periodic boundary conditions when calculating distances d182: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=31,36 NOPBC ignore the periodic boundary conditions when calculating distances d183: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=31,37 NOPBC ignore the periodic boundary conditions when calculating distances d184: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=31,39 NOPBC ignore the periodic boundary conditions when calculating distances d185: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=35,36 NOPBC ignore the periodic boundary conditions when calculating distances d186: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=35,37 NOPBC ignore the periodic boundary conditions when calculating distances d187: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=35,39 NOPBC ignore the periodic boundary conditions when calculating distances d188: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=36,37 NOPBC ignore the periodic boundary conditions when calculating distances d189: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=36,39 NOPBC ignore the periodic boundary conditions when calculating distances d190: DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=37,39 NOPBC ignore the periodic boundary conditions when calculating distances
PRINTPrint quantities to a file. More details ... ARGthe labels of the values that you would like to print to the file=* STRIDE the frequency with which the quantities of interest should be output=500 FILEthe name of the file on which to output these quantities=colvar.data ... PRINT