Project ID: plumID:22.030
Source: plumed/GACC/plumed.dat
Originally used with PLUMED version: 2.4
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
G0_phi1:TORSIONCalculate a torsional angle. More detailsATOMS=2,1,3,6 # ATOM IDS: H5T, O5', C5', C4' G0_phi2:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=1,3,6,26 # ATOM IDS: O5', C5', C4', C3' G0_phi3:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=3,6,26,32 # ATOM IDS: C5', C4', C3', O3' G0_phi4:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=6,26,32,33 # ATOM IDS: C4', C3', O3', P G0_phi5:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=8,9,28,26 # ATOM IDS: O4', C1', C2', C3' G0_phi6:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=9,28,30,31 # ATOM IDS: C1', C2', O2', 2HO' A1_phi1:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=33,36,37,40 # ATOM IDS: P, O5', C5', C4' A1_phi2:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=36,37,40,59 # ATOM IDS: O5', C5', C4', C3' A1_phi3:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=37,40,59,65 # ATOM IDS: C5', C4', C3', O3' A1_phi4:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=40,59,65,66 # ATOM IDS: C4', C3', O3', P A1_phi5:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=42,43,61,59 # ATOM IDS: O4', C1', C2', C3' A1_phi6:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=43,61,63,64 # ATOM IDS: C1', C2', O2', 2HO' C2_phi1:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=66,69,70,73 # ATOM IDS: P, O5', C5', C4' C2_phi2:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=69,70,73,90 # ATOM IDS: O5', C5', C4', C3' C2_phi3:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=70,73,90,96 # ATOM IDS: C5', C4', C3', O3' C2_phi4:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=73,90,96,97 # ATOM IDS: C4', C3', O3', P C2_phi5:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=75,76,92,90 # ATOM IDS: O4', C1', C2', C3' C2_phi6:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=76,92,94,95 # ATOM IDS: C1', C2', O2', 2HO' C3_phi1:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=97,100,101,104 # ATOM IDS: P, O5', C5', C4' C3_phi2:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=100,101,104,121 # ATOM IDS: O5', C5', C4', C3' C3_phi3:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=101,104,121,127 # ATOM IDS: C5', C4', C3', O3' C3_phi4:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=104,121,127,128 # ATOM IDS: C4', C3', O3', H3T C3_phi5:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=106,107,123,121 # ATOM IDS: O4', C1', C2', C3' C3_phi6:the four atoms involved in the torsional angleTORSIONCalculate a torsional angle. More detailsATOMS=107,123,125,126 # ATOM IDS: C1', C2', O2', 2HO'the four atoms involved in the torsional anglePrint quantities to a file. More detailsARGthe input for this action is the scalar output from one or more other actionsSTRIDE=1the frequency with which the quantities of interest should be outputFILE=anglesthe name of the file on which to output these quantities