Project ID: plumID:20.008
Source: plumed.dat
Originally used with PLUMED version: 2.5.1
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
UNITSThis command sets the internal units for the code. More details LENGTHthe units of lengths=A TIMEthe units of time=fs

cnh1: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=9 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh2: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=17 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh3: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=30 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh4: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=43 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh5: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=56 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh6: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=69 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh7: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=82 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh8: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=95 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh9: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=108 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh10: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=121 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh11: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=134 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh12: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=147 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh13: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=160 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh14: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=173 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh15: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=186 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh16: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=199 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh17: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=212 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh18: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=225 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh19: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=238 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh20: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=251 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnh21: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=264 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6

cnoh11: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=9 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh12: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=17 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh13: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=30 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh14: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=43 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh15: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=56 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh16: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=69 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh17: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=82 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh18: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=95 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh19: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=108 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh110: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=121 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh111: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=134 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh112: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=147 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh113: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=160 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh114: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=173 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh115: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=186 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh116: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=199 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh117: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=212 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh118: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=225 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh119: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=238 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh120: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=251 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh121: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=2 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=264 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnoh21: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=9 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh22: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=17 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh23: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=30 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh24: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=43 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh25: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=56 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh26: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=69 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh27: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=82 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh28: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=95 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh29: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=108 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh210: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=121 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh211: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=134 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh212: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=147 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh213: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=160 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh214: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=173 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh215: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=186 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh216: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=199 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh217: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=212 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh218: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=225 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh219: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=238 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh220: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=251 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh221: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=3 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=264 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
cnoh31: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=9 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh32: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=17 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh33: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=30 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh34: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=43 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh35: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=56 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh36: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=69 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh37: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=82 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh38: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=95 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh39: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=108 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh310: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=121 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh311: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=134 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh312: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=147 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh313: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=160 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh314: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=173 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh315: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=186 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh316: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=199 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh317: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=212 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh318: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=225 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh319: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=238 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh320: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=251 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6 cnoh321: COORDINATIONCalculate coordination numbers. This action has hidden defaults. More details GROUPAFirst list of atoms=5 GROUPBSecond list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)=264 D_0 The d_0 parameter of the switching function=0.9 R_0The r_0 parameter of the switching function=0.4 NN The n parameter of the switching function =6
tcno11: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh11,cnh1 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno12: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh12,cnh2 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno13: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh13,cnh3 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno14: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh14,cnh4 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno15: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh15,cnh5 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno16: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh16,cnh6 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno17: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh17,cnh7 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno18: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh18,cnh8 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno19: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh19,cnh9 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno110: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh110,cnh10 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno111: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh111,cnh11 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno112: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh112,cnh12 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno113: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh113,cnh13 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno114: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh114,cnh14 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno115: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh115,cnh15 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno116: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh116,cnh16 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno117: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh117,cnh17 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno118: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh118,cnh18 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno119: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh119,cnh19 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno120: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh120,cnh20 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno121: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh121,cnh21 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno21: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh21,cnh1 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno22: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh22,cnh2 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno23: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh23,cnh3 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno24: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh24,cnh4 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno25: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh25,cnh5 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno26: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh26,cnh6 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno27: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh27,cnh7 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno28: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh28,cnh8 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno29: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh29,cnh9 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno210: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh210,cnh10 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno211: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh211,cnh11 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno212: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh212,cnh12 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno213: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh213,cnh13 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno214: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh214,cnh14 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno215: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh215,cnh15 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno216: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh216,cnh16 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno217: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh217,cnh17 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno218: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh218,cnh18 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno219: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh219,cnh19 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno220: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh220,cnh20 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno221: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh221,cnh21 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno31: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh31,cnh1 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno32: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh32,cnh2 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno33: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh33,cnh3 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno34: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh34,cnh4 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno35: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh35,cnh5 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno36: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh36,cnh6 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno37: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh37,cnh7 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno38: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh38,cnh8 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno39: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh39,cnh9 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno310: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh310,cnh10 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno311: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh311,cnh11 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno312: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh312,cnh12 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno313: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh313,cnh13 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno314: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh314,cnh14 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno315: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh315,cnh15 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno316: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh316,cnh16 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno317: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh317,cnh17 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno318: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh318,cnh18 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno319: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh319,cnh19 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno320: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh320,cnh20 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO tcno321: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=cnoh321,cnh21 VARthe names to give each of the arguments in the function=x,y FUNCthe function you wish to evaluate=x/y PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO CUSTOMCalculate a combination of variables using a custom expression. More details ... LABELa label for the action so that its output can be referenced in the input to other actions=cno1 ARGthe values input to this function=tcno11,tcno12,tcno13,tcno14,tcno15,tcno16,tcno17,tcno18,tcno19,tcno110,tcno111,tcno112,tcno113,tcno114,tcno115,tcno116,tcno117,tcno118,tcno119,tcno120,tcno121 VARthe names to give each of the arguments in the function=x1,x2,x3,x4,x5,x6,x7,x8,x9,x10,x11,x12,x13,x14,x15,x16,x17,x18,x19,x20,x21 FUNCthe function you wish to evaluate=x1+x2+x3+x4+x5+x6+x7+x8+x9+x10+x11+x12+x13+x14+x15+x16+x17+x18+x19+x20+x21 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO ... CUSTOM
CUSTOMCalculate a combination of variables using a custom expression. More details ... LABELa label for the action so that its output can be referenced in the input to other actions=cno2 ARGthe values input to this function=tcno21,tcno22,tcno23,tcno24,tcno25,tcno26,tcno27,tcno28,tcno29,tcno210,tcno211,tcno212,tcno213,tcno214,tcno215,tcno216,tcno217,tcno218,tcno219,tcno220,tcno221 VARthe names to give each of the arguments in the function=x1,x2,x3,x4,x5,x6,x7,x8,x9,x10,x11,x12,x13,x14,x15,x16,x17,x18,x19,x20,x21 FUNCthe function you wish to evaluate=x1+x2+x3+x4+x5+x6+x7+x8+x9+x10+x11+x12+x13+x14+x15+x16+x17+x18+x19+x20+x21 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO ... CUSTOM
CUSTOMCalculate a combination of variables using a custom expression. More details ... LABELa label for the action so that its output can be referenced in the input to other actions=cno3 ARGthe values input to this function=tcno31,tcno32,tcno33,tcno34,tcno35,tcno36,tcno37,tcno38,tcno39,tcno310,tcno311,tcno312,tcno313,tcno314,tcno315,tcno316,tcno317,tcno318,tcno319,tcno320,tcno321 VARthe names to give each of the arguments in the function=x1,x2,x3,x4,x5,x6,x7,x8,x9,x10,x11,x12,x13,x14,x15,x16,x17,x18,x19,x20,x21 FUNCthe function you wish to evaluate=x1+x2+x3+x4+x5+x6+x7+x8+x9+x10+x11+x12+x13+x14+x15+x16+x17+x18+x19+x20+x21 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO ... CUSTOM
CUSTOMCalculate a combination of variables using a custom expression. More details ... LABELa label for the action so that its output can be referenced in the input to other actions=cno_tot ARGthe values input to this function=cno1,cno2,cno3 VARthe names to give each of the arguments in the function=x1,x2,x3 FUNCthe function you wish to evaluate=x1+x2+x3 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO ... CUSTOM
d1: DISTANCESCalculate the distances between multiple piars of atoms This action is a shortcut. More details GROUPACalculate the distances between all the atoms in GROUPA and all the atoms in GROUPB=2,3,5 GROUPBCalculate the distances between all the atoms in GROUPA and all the atoms in GROUPB=9,17,30,43,56,69,82,95,108,121,134,147,160,173,186,199,212,215,238,251,264 MINcalculate the minimum value={BETA=24.}
metad: METADUsed to performed metadynamics on one or more collective variables. More details ARGthe labels of the scalars on which the bias will act=cno_tot,d1.min PACEthe frequency for hill addition=12 HEIGHTthe heights of the Gaussian hills=0.4 SIGMAthe widths of the Gaussian hills=.1,0.2 FILE a file in which the list of added hills is stored=./plumed/HILLS BIASFACTORuse well tempered metadynamics and use this bias factor=3 TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=363 ### PRINT STRIDE=1 ARG=cnh1,cnh2,cnh3,cnh4,cnh5,cnh6,cnh7,cnh8,cnh9,cnh10,cnh11,cnh12,cnh13,cnh14,cnh15,cnh16,cnh17,cnh18,cnh19,cnh20,cnh21,cno_tot,metad.bias FILE=./plumed/COLVAR PRINTPrint quantities to a file. More details STRIDE the frequency with which the quantities of interest should be output=1 ARGthe labels of the values that you would like to print to the file=cno_tot,d1.min,metad.bias FILEthe name of the file on which to output these quantities=./plumed/COLVAR