Project ID: plumID:22.041
Source: dw/plumed.dat
Originally used with PLUMED version: 2.8
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
# vim:ft=plumedEnables syntax highlighting for PLUMED files in vim. See here for more details.UNITSThis command sets the internal units for the code. More detailsNATURALuse natural units
ene:ENERGYp:Calculate the total potential energy of the simulation box. More detailsPOSITIONCalculate the components of the position of an atom. More detailsATOM=1the atom number
ecv:ECV_MULTITHERMALExpand a simulation to sample multiple temperatures simultaneously. More detailsARG=enethe label of the internal energy of the systemTEMP_MAX=5the maximum of the temperature rangeTEMP_STEPS=6 opes:the number of steps in temperatureOPES_EXPANDEDOn-the-fly probability enhanced sampling with expanded ensembles for the target distribution. More detailsARG=ecv.enethe label of the ECVs that define the expansionPACE=100how often the bias is updatedPrint quantities to a file. More detailsFMT=%gthe format that should be used to output real numbersSTRIDE=100the frequency with which the quantities of interest should be outputFILE=COLVARthe name of the file on which to output these quantitiesARG=p.x,p.y,ene,opes.biasthe input for this action is the scalar output from one or more other actionsENDPLUMEDPLUMED input equivalent to what done in OPES-dw.ipynb This cannot be used with openmm-plumed, because ENERGY is not supported It is provided only for referenceTerminate plumed input. More details