Project ID: plumID:21.023
Source: Data-ala1/ala1-vacuum-wtm-rct-ustride-1-bf10/plumed.dat
Originally used with PLUMED version: 2.7
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
energy:ENERGYphi :Calculate the total potential energy of the simulation box. More detailsTORSIONCalculate a torsional angle. More detailsATOMS=5,7,9,15the four atoms involved in the torsional angleNOPBCpsi :ignore the periodic boundary conditions when calculating distancesTORSIONCalculate a torsional angle. More detailsATOMS=7,9,15,17the four atoms involved in the torsional angleNOPBCtheta :ignore the periodic boundary conditions when calculating distancesTORSIONCalculate a torsional angle. More detailsATOMS=6,5,7,9the four atoms involved in the torsional angleNOPBCd1 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=2,5the pair of atom that we are calculating the distance betweenNOPBCd2 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=2,6the pair of atom that we are calculating the distance betweenNOPBCd3 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=2,7the pair of atom that we are calculating the distance betweenNOPBCd4 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=2,9the pair of atom that we are calculating the distance betweenNOPBCd5 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=2,11the pair of atom that we are calculating the distance betweenNOPBCd6 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=2,15the pair of atom that we are calculating the distance betweenNOPBCd7 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=2,16the pair of atom that we are calculating the distance betweenNOPBCd8 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=2,17the pair of atom that we are calculating the distance betweenNOPBCd9 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=2,19the pair of atom that we are calculating the distance betweenNOPBCd10 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=5,6the pair of atom that we are calculating the distance betweenNOPBCd11 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=5,7the pair of atom that we are calculating the distance betweenNOPBCd12 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=5,9the pair of atom that we are calculating the distance betweenNOPBCd13 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=5,11the pair of atom that we are calculating the distance betweenNOPBCd14 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=5,15the pair of atom that we are calculating the distance betweenNOPBCd15 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=5,16the pair of atom that we are calculating the distance betweenNOPBCd16 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=5,17the pair of atom that we are calculating the distance betweenNOPBCd17 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=5,19the pair of atom that we are calculating the distance betweenNOPBCd18 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=6,7the pair of atom that we are calculating the distance betweenNOPBCd19 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=6,9the pair of atom that we are calculating the distance betweenNOPBCd20 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=6,11the pair of atom that we are calculating the distance betweenNOPBCd21 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=6,15the pair of atom that we are calculating the distance betweenNOPBCd22 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=6,16the pair of atom that we are calculating the distance betweenNOPBCd23 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=6,17the pair of atom that we are calculating the distance betweenNOPBCd24 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=6,19the pair of atom that we are calculating the distance betweenNOPBCd25 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=7,9the pair of atom that we are calculating the distance betweenNOPBCd26 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=7,11the pair of atom that we are calculating the distance betweenNOPBCd27 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=7,15the pair of atom that we are calculating the distance betweenNOPBCd28 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=7,16the pair of atom that we are calculating the distance betweenNOPBCd29 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=7,17the pair of atom that we are calculating the distance betweenNOPBCd30 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=7,19the pair of atom that we are calculating the distance betweenNOPBCd31 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=9,11the pair of atom that we are calculating the distance betweenNOPBCd32 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=9,15the pair of atom that we are calculating the distance betweenNOPBCd33 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=9,16the pair of atom that we are calculating the distance betweenNOPBCd34 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=9,17the pair of atom that we are calculating the distance betweenNOPBCd35 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=9,19the pair of atom that we are calculating the distance betweenNOPBCd36 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=11,15the pair of atom that we are calculating the distance betweenNOPBCd37 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=11,16the pair of atom that we are calculating the distance betweenNOPBCd38 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=11,17the pair of atom that we are calculating the distance betweenNOPBCd39 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=11,19the pair of atom that we are calculating the distance betweenNOPBCd40 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=15,16the pair of atom that we are calculating the distance betweenNOPBCd41 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=15,17the pair of atom that we are calculating the distance betweenNOPBCd42 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=15,19the pair of atom that we are calculating the distance betweenNOPBCd43 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=16,17the pair of atom that we are calculating the distance betweenNOPBCd44 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=16,19the pair of atom that we are calculating the distance betweenNOPBCd45 :ignore the periodic boundary conditions when calculating distancesDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=17,19the pair of atom that we are calculating the distance betweenNOPBCignore the periodic boundary conditions when calculating distancesMETAD...Used to performed metadynamics on one or more collective variables. This action has hidden defaults. More detailsLABEL=mtda label for the action so that its output can be referenced in the input to other actionsARG=phi,psithe input for this action is the scalar output from one or more other actionsPACE=500the frequency for hill additionSIGMA=0.2,0.2the widths of the Gaussian hillsHEIGHT=1.2the heights of the Gaussian hillsBIASFACTOR=10use well tempered metadynamics and use this bias factorGRID_MIN=-pi,-pithe lower bounds for the gridGRID_MAX=pi,pithe upper bounds for the gridGRID_BIN=500,500the number of bins for the gridCALC_RCTcalculate the c(t) reweighting factor and use that to obtain the normalized bias [rbias=bias-rct]RCT_USTRIDE=1 ... METADthe update stride for calculating the c(t) reweighting factorPrint quantities to a file. More detailsARGthe input for this action is the scalar output from one or more other actionsSTRIDE=500the frequency with which the quantities of interest should be outputFILE=colvar.data ... PRINTthe name of the file on which to output these quantities