PLUMED-NEST

Project ID: plumID:23.001
Source: EnhancedCoexistence/Liq-II/1-BiasedCoexistence/COEX_2000atm/240K/plumed.equil.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

# vim:ft=plumedEnables syntax highlighting for PLUMED files in vim. See here for more details. 


INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details FILEfile to be included=plumed.order.dat

# Use wall potential too keep colective variable within limits
The INCLUDE action with label  calculates somethinguwall: UPPER_WALLSDefines a wall for the value of one or more collective variables, More details ARGthe arguments on which the bias is acting=refcv.morethan-1 ATthe positions of the wall=486.0 KAPPAthe force constant for the wall=1.0 EXP the powers for the walls=2 
The UPPER_WALLS action with label uwall calculates the following quantities:
 Quantity   
 Description  
uwall.bias
the instantaneous value of the bias potential
uwall.force2
the instantaneous value of the squared force due to this bias potentiallwall: LOWER_WALLSDefines a wall for the value of one or more collective variables, More details ARGthe arguments on which the bias is acting=refcv.morethan-1 ATthe positions of the wall=432 KAPPAthe force constant for the wall=1.0 EXP the powers for the walls=2 

The LOWER_WALLS action with label lwall calculates the following quantities:
 Quantity   
 Description  
lwall.bias
the instantaneous value of the bias potential
lwall.force2
the instantaneous value of the squared force due to this bias potentialPRINTPrint quantities to a file. More details STRIDE the frequency with which the quantities of interest should be output=500  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-EQUILIBRATE