Project ID: plumID:19.081
Source: Na/01_Distributions/Liquid/plumed.dat
Originally used with PLUMED version: 2.6-dev
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

Click on the labels of the actions for more information on what each action computes
tested onv2.10
tested onmaster
tested on master
# vim:ft=plumedEnables syntax highlighting for PLUMED files in vim. See here for more details. 

RESTARTActivate restart. More details
LOADLoads a library, possibly defining new actions. More details FILEfile to be loaded=../../../RefCV.cpp energy: ENERGYCalculate the total potential energy of the simulation box. More details
vol: VOLUMECalculate the volume the simulation box. More details
REFCVThis action is not part of PLUMED and was included by using a LOAD command More details ... SPECIES=1-250 SIGMA=0.065 LATTICE_CONSTANTS=0.432 CRYSTAL_STRUCTURE=BCC LABEL=refcv MORE_THAN={RATIONAL R_0=0.5 NN=12 MM=24} MEAN ... REFCV
HISTOGRAMAccumulate the average probability density along a few CVs from a trajectory. More details ... DATAan alternative to the ARG keyword=refcv GRID_MIN the lower bounds for the grid=-1.5 GRID_MAX the upper bounds for the grid=1.5 GRID_BINthe number of bins for the grid=1000 BANDWIDTHthe bandwidths for kernel density esimtation=0.05 LABELa label for the action so that its output can be referenced in the input to other actions=hh STRIDE the frequency with which to store data for averaging=10 ... HISTOGRAM
DUMPGRIDOutput the function on the grid to a file with the PLUMED grid format. More details GRIDthe grid you would like to print (can also use ARG for specifying what is being printed)=hh FILE the file on which to write the grid=histo STRIDE the frequency with which the grid should be output to the file=5000 PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=* FILEthe name of the file on which to output these quantities=COLVAR STRIDE the frequency with which the quantities of interest should be output=500