Project ID: plumID:22.025
Source: p0.026/t0.8580-smd/plumed2.inp
Originally used with PLUMED version: 2.8
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 detailsNATURALuse natural unitsVOLUMECalculate the volume of the simulation box. More detailsLABEL=vola label for the action so that its output can be referenced in the input to other actionsCUSTOMCalculate a combination of variables using a custom expression. More detailsARG=volthe values input to this functionFUNC=x/17576the function you wish to evaluatePERIODIC=NOif the output of your function is periodic then you should specify the periodicity of the functionLABEL=molvola label for the action so that its output can be referenced in the input to other actionsMOVINGRESTRAINT...Add a time-dependent, harmonic restraint on one or more variables. This action has hidden defaults. More detailsARG=molvolthe labels of the scalars on which the bias will actSTEP0=0This keyword appears multiple times as STEPx with x=0,1,2,AT0=1.7ATx is equal to the position of the restraint at time STEPxKAPPA0=1e5KAPPAx is equal to the value of the force constants at time STEPxSTEP1=2000000This keyword appears multiple times as STEPx with x=0,1,2,AT1=2.2ATx is equal to the position of the restraint at time STEPxKAPPA1=1e5KAPPAx is equal to the value of the force constants at time STEPxLABEL=res ... MOVINGRESTRAINTa label for the action so that its output can be referenced in the input to other actionsFLUSHThis command instructs plumed to flush all the open files with a user specified frequency. More detailsSTRIDE=2000the frequency with which all the open files should be flushedPrint quantities to a file. More detailsARG=molvol,res.workthe labels of the values that you would like to print to the fileSTRIDE=200the frequency with which the quantities of interest should be outputFILE=colvarthe name of the file on which to output these quantities