Project ID: plumID:20.002
Source: plumed-MetaD.dat
Originally used with PLUMED version: 2.4
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

# vim: ft=plumed
RESTART
MOLINFO STRUCTURE=npt.pdb
protein: GROUP ATOMS=1-6518
WHOLEMOLECULES ENTITY0=protein
p1: PATHMSD REFERENCE=frameset_CA.pdb LAMBDA=193.6

#metad: METAD ARG=p1.sss SIGMA=500 SIGMA_MIN=0.005 SIGMA_MAX=0.05 HEIGHT=4.184 ADAPTIVE=DIFF TEMP=300.0 BIASFACTOR=10 PACE=100
metad: METAD ARG=p1.sss,p1.zzz SIGMA=0.2,0.02 HEIGHT=0.4184 GRID_SPARSE GRID_MIN=0,0 GRID_MAX=40,18 GRID_BIN=200,200 FILE=HILLS PACE=500 TEMP=300.0 BIASFACTOR=8
UPPER_WALLS ARG=p1.zzz AT=0.16 KAPPA=100000.0 LABEL=uwall

PRINT ARG=* STRIDE=100 FILE=colvar_metaD