Project ID: plumID:24.006
Source: chemicalPotentialDifference/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

Click on the labels of the actions for more information on what each action computes
tested onv2.10
tested onmaster
# 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 details LENGTHthe units of lengths=A TIMEthe units of time=ps ENERGYthe units of energy=eV
c1: COORDINATIONNUMBERCalculate the coordination numbers of atoms so that you can then calculate functions of the distribution of This action is a shortcut. More details SPECIESthe list of atoms for which the symmetry function is being calculated and the atoms that can be in the environments=1-3000:3 SWITCHthe switching function that it used in the construction of the contact matrix. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=1 D_0=3.5 D_MAX=4.5} LESS_THANcalculate the number of variables that are less than a certain target value. Options for this keyword are explained in the documentation for LESS_THAN.={RATIONAL R_0=2 NN=12 MM=24} LOWMEM this flag does nothing and is present only to ensure back-compatibility
mt: METADUsed to performed metadynamics on one or more collective variables. More details ARGthe labels of the scalars on which the bias will act=c1.lessthan ...
 PACEthe frequency for hill addition=500 HEIGHTthe heights of the Gaussian hills=0.02 BIASFACTORuse well tempered metadynamics and use this bias factor=50   
 SIGMAthe widths of the Gaussian hills=1 TEMPthe system temperature - this is only needed if you are doing well-tempered metadynamics=373  
 FILE a file in which the list of added hills is stored=HILLS GRID_MINthe lower bounds for the grid=0 GRID_MAXthe upper bounds for the grid=50 CALC_RCT calculate the c(t) reweighting factor and use that to obtain the normalized bias [rbias=bias-rct]
... 
UPPER_WALLSDefines a wall for the value of one or more collective variables, More details ARGthe arguments on which the bias is acting=c1.lessthan ATthe positions of the wall=30.0 KAPPAthe force constant for the wall=0.1 EXP the powers for the walls=2 LABELa label for the action so that its output can be referenced in the input to other actions=uwall
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=100