Project ID: plumID:22.025
Source: t0.700/p0.14000-smd/plumed1.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 input to this functionFUNC=x/4096the 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 actionsRESTRAINTAdds harmonic and/or linear restraints on one or more variables. More detailsARG=molvolthe arguments on which the bias is actingAT=1.4the position of the restraintKAPPA=1e5specifies that the restraint is harmonic and what the values of the force constants on each of the variables areLABEL=resa 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=molvolthe input for this action is the scalar output from one or more other actionsSTRIDE=20the frequency with which the quantities of interest should be outputFILE=colvarthe name of the file on which to output these quantities