Project ID: plumID:19.076
Source: Pulling/001001/pl1
Originally used with PLUMED version: 2.1
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
# Adapt units to LAMMPS script (units real)UNITSThis command sets the internal units for the code. More detailsLENGTH=Athe units of lengthsTIME=fsthe units of timeENERGY=kcal/molthe units of energy
# Radius of Gyration rg:GYRATIONCalculate the radius of gyration, or other properties related to it. More detailsTYPE=RADIUSThe type of calculation relative to the Gyration Tensor you want to performATOMS=1-293the group of atoms that you are calculating the Gyration Tensor for
restr: ...MOVINGRESTRAINTAdd a time-dependent, harmonic restraint on one or more variables. More detailsARG=rgthe 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=33.9419AT$x$ is equal to the position of the restraint at time STEP$x$KAPPA0=10KAPPA$x$ is equal to the value of the force constants at time STEP$x$STEP1=27605810This keyword appears multiple times as STEP$x$ with x=0,1,2,AT1=310AT$x$ is equal to the position of the restraint at time STEP$x$KAPPA1=10 ... # Print rgKAPPA$x$ is equal to the value of the force constants at time STEP$x$Print quantities to a file. More detailsARG=rg,restr.rg_cntr,restr.rg_workthe input for this action is the scalar output from one or more other actionsFILE=work1the name of the file on which to output these quantitiesSTRIDE=276058the frequency with which the quantities of interest should be output
# End of ProgramENDPLUMEDTerminate plumed input. More details