PLUMED-NEST

Project ID: plumID:19.067
Source: ache-pwf/plumed-unbiased.dat
Originally used with PLUMED version: 2.4
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

UNITSThis command sets the internal units for the code. More details LENGTHthe units of lengths=nm TIMEthe units of time=ps ENERGYthe units of energy=kcal/mol

The UNITS action with label  calculates somethingpwfThe PATHMSD action with label pwf calculates the following quantities:
 Quantity   
 Type   
 Description  
pwf.sss
scalar
the position on the path
pwf.zzz
scalar
the distance from the path: PATHMSDThis Colvar calculates path collective variables. More details REFERENCEthe pdb is needed to provide the various milestones=pwf.pdb LAMBDAthe lambda parameter is needed for smoothing, is in the units of plumed=65

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=10 FILEthe name of the file on which to output these quantities=colvar_pwf FMTthe format that should be used to output real numbers=%12.8f