PLUMED-NEST-TEST-SITE

Project ID: plumID:20.024
Source: Alanine-dipeptide/plumed.dat
Originally used with PLUMED version: 2.7
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

LOADLoads a library, possibly defining new actions. More details FILEfile to be loaded=../GAMBES.cpp


The LOAD action with label  calculates somethingphi: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=5,7,9,15
The TORSION action with label phi calculates the following quantities:
 Quantity   
 Description  
phi.value
the TORSION involving these atomspsi: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=7,9,15,17


The TORSION action with label psi calculates the following quantities:
 Quantity   
 Description  
psi.value
the TORSION involving these atomsGAMBESThis action is not part of PLUMED and was included by using a LOAD command More details ...
  ARG=phi,psi
  NSTATES=2
  FILENAME=state
  PACE=500
  LABEL=ext
  BIAS_CUTOFF
  CUTOFF=30
  LAMBDA=1
... GAMBES



PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=* STRIDE the frequency with which the quantities of interest should be output=100 FILEthe name of the file on which to output these quantities=COLVAR FMTthe format that should be used to output real numbers=%.9f