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
UNITSThis command sets the internal units for the code. More detailsLENGTH=Athe units of lengthsTIME=fsthe units of timeCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=9First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 cnh1 : cnh2The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=17First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh3The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=30First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh4The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=43First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh5The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=56First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh6The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=69First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh7The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=82First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh8The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=95First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh9The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=108First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh10The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=121First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh11The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=134First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh12The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=147First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh13The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=160First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh14The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=173First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh15The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=186First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh16The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=199First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh17The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=212First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh18The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=225First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh19The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=238First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh20The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=251First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnh21The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=264First list of atomsGROUPB=2,3,5,16,29,42,55,68,81,94,107,120,133,146,159,172,185,198,211,224,237,250,263Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 :The n parameter of the switching function
cnoh11COORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=9Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh12The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=17Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh13The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=30Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh14The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=43Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh15The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=56Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh16The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=69Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh17The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=82Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh18The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=95Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh19The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=108Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh110The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=121Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh111The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=134Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh112The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=147Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh113The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=160Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh114The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=173Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh115The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=186Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh116The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=199Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh117The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=212Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh118The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=225Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh119The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=238Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh120The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=251Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh121The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=2First list of atomsGROUPB=264Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 :The n parameter of the switching function
cnoh21COORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=9Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh22The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=17Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh23The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=30Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh24The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=43Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh25The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=56Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh26The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=69Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh27The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=82Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh28The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=95Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh29The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=108Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh210The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=121Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh211The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=134Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh212The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=147Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh213The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=160Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh214The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=173Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh215The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=186Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh216The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=199Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh217The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=212Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh218The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=225Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh219The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=238Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh220The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=251Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh221The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=3First list of atomsGROUPB=264Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 :The n parameter of the switching function
cnoh31COORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=9Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh32The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=17Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh33The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=30Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh34The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=43Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh35The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=56Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh36The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=69Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh37The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=82Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh38The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=95Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh39The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=108Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh310The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=121Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh311The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=134Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh312The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=147Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh313The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=160Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh314The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=173Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh315The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=186Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh316The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=199Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh317The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=212Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh318The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=225Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh319The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=238Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh320The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=251Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 : cnoh321The n parameter of the switching functionCOORDINATIONCalculate coordination numbers. This action has hidden defaults. More detailsGROUPA=5First list of atomsGROUPB=264Second list of atoms (if empty, N*(N-1)/2 pairs in GROUPA are counted)D_0=0.9The d_0 parameter of the switching functionR_0=0.4The r_0 parameter of the switching functionNN=6 :The n parameter of the switching function
tcno11 :CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh11,cnh1the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno12 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh12,cnh2the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno13 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh13,cnh3the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno14 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh14,cnh4the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno15 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh15,cnh5the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno16 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh16,cnh6the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno17 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh17,cnh7the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno18 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh18,cnh8the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno19 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh19,cnh9the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno110 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh110,cnh10the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno111 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh111,cnh11the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno112 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh112,cnh12the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno113 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh113,cnh13the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno114 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh114,cnh14the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno115 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh115,cnh15the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno116 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh116,cnh16the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno117 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh117,cnh17the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno118 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh118,cnh18the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno119 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh119,cnh19the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno120 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh120,cnh20the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno121 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh121,cnh21the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the function
tcno21 :CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh21,cnh1the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno22 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh22,cnh2the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno23 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh23,cnh3the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno24 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh24,cnh4the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno25 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh25,cnh5the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno26 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh26,cnh6the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno27 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh27,cnh7the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno28 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh28,cnh8the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno29 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh29,cnh9the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno210 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh210,cnh10the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno211 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh211,cnh11the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno212 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh212,cnh12the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno213 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh213,cnh13the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno214 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh214,cnh14the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno215 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh215,cnh15the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno216 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh216,cnh16the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno217 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh217,cnh17the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno218 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh218,cnh18the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno219 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh219,cnh19the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno220 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh220,cnh20the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno221 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh221,cnh21the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the function
tcno31 :CUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh31,cnh1the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno32 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh32,cnh2the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno33 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh33,cnh3the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno34 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh34,cnh4the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno35 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh35,cnh5the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno36 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh36,cnh6the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno37 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh37,cnh7the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno38 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh38,cnh8the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno39 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh39,cnh9the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno310 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh310,cnh10the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno311 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh311,cnh11the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno312 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh312,cnh12the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno313 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh313,cnh13the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno314 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh314,cnh14the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno315 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh315,cnh15the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno316 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh316,cnh16the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno317 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh317,cnh17the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno318 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh318,cnh18the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno319 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh319,cnh19the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno320 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh320,cnh20the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NO tcno321 :if the output of your function is periodic then you should specify the periodicity of the functionCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=cnoh321,cnh21the input to this functionVAR=x,ythe names to give each of the arguments in the functionFUNC=x/ythe function you wish to evaluatePERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functionCUSTOM...Calculate a combination of variables using a custom expression. More detailsLABEL=cno1a label for the action so that its output can be referenced in the input to other actionsARG=tcno11,tcno12,tcno13,tcno14,tcno15,tcno16,tcno17,tcno18,tcno19,tcno110,tcno111,tcno112,tcno113,tcno114,tcno115,tcno116,tcno117,tcno118,tcno119,tcno120,tcno121the input to this functionVAR=x1,x2,x3,x4,x5,x6,x7,x8,x9,x10,x11,x12,x13,x14,x15,x16,x17,x18,x19,x20,x21the names to give each of the arguments in the functionFUNC=x1+x2+x3+x4+x5+x6+x7+x8+x9+x10+x11+x12+x13+x14+x15+x16+x17+x18+x19+x20+x21the function you wish to evaluatePERIODIC=NO ... CUSTOMif the output of your function is periodic then you should specify the periodicity of the functionCUSTOM...Calculate a combination of variables using a custom expression. More detailsLABEL=cno2a label for the action so that its output can be referenced in the input to other actionsARG=tcno21,tcno22,tcno23,tcno24,tcno25,tcno26,tcno27,tcno28,tcno29,tcno210,tcno211,tcno212,tcno213,tcno214,tcno215,tcno216,tcno217,tcno218,tcno219,tcno220,tcno221the input to this functionVAR=x1,x2,x3,x4,x5,x6,x7,x8,x9,x10,x11,x12,x13,x14,x15,x16,x17,x18,x19,x20,x21the names to give each of the arguments in the functionFUNC=x1+x2+x3+x4+x5+x6+x7+x8+x9+x10+x11+x12+x13+x14+x15+x16+x17+x18+x19+x20+x21the function you wish to evaluatePERIODIC=NO ... CUSTOMif the output of your function is periodic then you should specify the periodicity of the functionCUSTOM...Calculate a combination of variables using a custom expression. More detailsLABEL=cno3a label for the action so that its output can be referenced in the input to other actionsARG=tcno31,tcno32,tcno33,tcno34,tcno35,tcno36,tcno37,tcno38,tcno39,tcno310,tcno311,tcno312,tcno313,tcno314,tcno315,tcno316,tcno317,tcno318,tcno319,tcno320,tcno321the input to this functionVAR=x1,x2,x3,x4,x5,x6,x7,x8,x9,x10,x11,x12,x13,x14,x15,x16,x17,x18,x19,x20,x21the names to give each of the arguments in the functionFUNC=x1+x2+x3+x4+x5+x6+x7+x8+x9+x10+x11+x12+x13+x14+x15+x16+x17+x18+x19+x20+x21the function you wish to evaluatePERIODIC=NO ... CUSTOMif the output of your function is periodic then you should specify the periodicity of the functionCUSTOM...Calculate a combination of variables using a custom expression. More detailsLABEL=cno_tota label for the action so that its output can be referenced in the input to other actionsARG=cno1,cno2,cno3the input to this functionVAR=x1,x2,x3the names to give each of the arguments in the functionFUNC=x1+x2+x3the function you wish to evaluatePERIODIC=NO ... CUSTOMif the output of your function is periodic then you should specify the periodicity of the function
d1DISTANCESCalculate the distances between multiple piars of atoms This action is a shortcut. More detailsGROUPA=2,3,5Calculate the distances between all the atoms in GROUPA and all the atoms in GROUPBGROUPB=9,17,30,43,56,69,82,95,108,121,134,147,160,173,186,199,212,215,238,251,264Calculate the distances between all the atoms in GROUPA and all the atoms in GROUPBMIN={BETA=24.} :calculate the minimum value
metad :METADUsed to performed metadynamics on one or more collective variables. More detailsARG=cno_tot,d1.minthe input for this action is the scalar output from one or more other actionsPACE=12the frequency for hill additionHEIGHT=0.4the heights of the Gaussian hillsSIGMA=.1,0.2the widths of the Gaussian hillsFILE=./plumed/HILLSa file in which the list of added hills is storedBIASFACTOR=3use well tempered metadynamics and use this bias factorTEMP=363the system temperature - this is only needed if you are doing well-tempered metadynamics
### 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/COLVARPrint quantities to a file. More detailsSTRIDE=1the frequency with which the quantities of interest should be outputARG=cno_tot,d1.min,metad.biasthe input for this action is the scalar output from one or more other actionsFILE=./plumed/COLVARthe name of the file on which to output these quantities