Project ID: plumID:21.023
Source: Data-ala1/ala1-vacuum-wtm-rct-ustride-1-bf5/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
energyENERGYCalculate the total potential energy of the simulation box. More details phi : TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=5,7,9,15 NOPBC ignore the periodic boundary conditions when calculating distances psi : TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=7,9,15,17 NOPBC ignore the periodic boundary conditions when calculating distances theta : TORSIONCalculate a torsional angle. More details ATOMSthe four atoms involved in the torsional angle=6,5,7,9 NOPBC ignore the periodic boundary conditions when calculating distances d1 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,5 NOPBC ignore the periodic boundary conditions when calculating distances d2 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,6 NOPBC ignore the periodic boundary conditions when calculating distances d3 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,7 NOPBC ignore the periodic boundary conditions when calculating distances d4 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,9 NOPBC ignore the periodic boundary conditions when calculating distances d5 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,11 NOPBC ignore the periodic boundary conditions when calculating distances d6 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,15 NOPBC ignore the periodic boundary conditions when calculating distances d7 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,16 NOPBC ignore the periodic boundary conditions when calculating distances d8 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,17 NOPBC ignore the periodic boundary conditions when calculating distances d9 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,19 NOPBC ignore the periodic boundary conditions when calculating distances d10 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,6 NOPBC ignore the periodic boundary conditions when calculating distances d11 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,7 NOPBC ignore the periodic boundary conditions when calculating distances d12 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,9 NOPBC ignore the periodic boundary conditions when calculating distances d13 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,11 NOPBC ignore the periodic boundary conditions when calculating distances d14 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,15 NOPBC ignore the periodic boundary conditions when calculating distances d15 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,16 NOPBC ignore the periodic boundary conditions when calculating distances d16 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,17 NOPBC ignore the periodic boundary conditions when calculating distances d17 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,19 NOPBC ignore the periodic boundary conditions when calculating distances d18 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,7 NOPBC ignore the periodic boundary conditions when calculating distances d19 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,9 NOPBC ignore the periodic boundary conditions when calculating distances d20 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,11 NOPBC ignore the periodic boundary conditions when calculating distances d21 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,15 NOPBC ignore the periodic boundary conditions when calculating distances d22 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,16 NOPBC ignore the periodic boundary conditions when calculating distances d23 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,17 NOPBC ignore the periodic boundary conditions when calculating distances d24 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,19 NOPBC ignore the periodic boundary conditions when calculating distances d25 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,9 NOPBC ignore the periodic boundary conditions when calculating distances d26 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,11 NOPBC ignore the periodic boundary conditions when calculating distances d27 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,15 NOPBC ignore the periodic boundary conditions when calculating distances d28 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,16 NOPBC ignore the periodic boundary conditions when calculating distances d29 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,17 NOPBC ignore the periodic boundary conditions when calculating distances d30 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,19 NOPBC ignore the periodic boundary conditions when calculating distances d31 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,11 NOPBC ignore the periodic boundary conditions when calculating distances d32 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,15 NOPBC ignore the periodic boundary conditions when calculating distances d33 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,16 NOPBC ignore the periodic boundary conditions when calculating distances d34 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,17 NOPBC ignore the periodic boundary conditions when calculating distances d35 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,19 NOPBC ignore the periodic boundary conditions when calculating distances d36 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,15 NOPBC ignore the periodic boundary conditions when calculating distances d37 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,16 NOPBC ignore the periodic boundary conditions when calculating distances d38 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,17 NOPBC ignore the periodic boundary conditions when calculating distances d39 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,19 NOPBC ignore the periodic boundary conditions when calculating distances d40 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,16 NOPBC ignore the periodic boundary conditions when calculating distances d41 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,17 NOPBC ignore the periodic boundary conditions when calculating distances d42 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,19 NOPBC ignore the periodic boundary conditions when calculating distances d43 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,17 NOPBC ignore the periodic boundary conditions when calculating distances d44 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,19 NOPBC ignore the periodic boundary conditions when calculating distances d45 : DISTANCECalculate the distance between a pair of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=17,19 NOPBC ignore the periodic boundary conditions when calculating distances:
METADUsed to performed metadynamics on one or more collective variables. This action has hidden defaults. More details ... LABELa label for the action so that its output can be referenced in the input to other actions=mtd ARGthe labels of the scalars on which the bias will act=phi,psi PACEthe frequency for hill addition=500 SIGMAthe widths of the Gaussian hills=0.2,0.2 HEIGHTthe heights of the Gaussian hills=1.2 BIASFACTORuse well tempered metadynamics and use this bias factor=5 GRID_MINthe lower bounds for the grid=-pi,-pi GRID_MAXthe upper bounds for the grid=pi,pi GRID_BINthe number of bins for the grid=500,500 CALC_RCT calculate the c(t) reweighting factor and use that to obtain the normalized bias [rbias=bias-rct] RCT_USTRIDEthe update stride for calculating the c(t) reweighting factor=1 ... METAD
PRINTPrint quantities to a file. More details ... ARGthe labels of the values that you would like to print to the file=* STRIDE the frequency with which the quantities of interest should be output=500 FILEthe name of the file on which to output these quantities=colvar.data ... PRINT