Project ID: plumID:21.020
Source: dimer/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 unitsDISTANCECalculate the distance between a pair of atoms. More detailsATOMS=1,2the pair of atom that we are calculating the distance betweenLABEL=dista label for the action so that its output can be referenced in the input to other actionsUPPER_WALLSDefines a wall for the value of one or more collective variables, More detailsARG=distthe arguments on which the bias is actingAT=7.0the positions of the wallKAPPA=1.0the force constant for the wallLABEL=wallsa 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. More detailsARG=distthe input for this action is the scalar output from one or more other actionsSTEP0=0This keyword appears multiple times as STEP$x$ with x=0,1,2,AT0=0.8AT$x$ is equal to the position of the restraint at time STEP$x$KAPPA0=1000.0KAPPA$x$ is equal to the value of the force constants at time STEP$x$STEP1=500000This keyword appears multiple times as STEP$x$ with x=0,1,2,AT1=8.0AT$x$ is equal to the position of the restraint at time STEP$x$KAPPA1=1000.0KAPPA$x$ is equal to the value of the force constants at time STEP$x$LABEL=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=10000the frequency with which all the open files should be flushedPrint quantities to a file. More detailsARG=dist,res.workthe input for this action is the scalar output from one or more other actionsSTRIDE=50the frequency with which the quantities of interest should be outputFILE=colvarthe name of the file on which to output these quantities