Project ID: plumID:20.032
Source: Clustering_Sildenafil/solvents_setup/plumed.dat
Originally used with PLUMED version: 2.4
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

tA: TORSION VECTOR1=7,1 AXIS=1,22 VECTOR2=22,28
tB: TORSION VECTOR1=20,9 AXIS=9,2 VECTOR2=2,30
tC: TORSION VECTOR1=9,2 AXIS=2,30 VECTOR2=30,42
tD: TORSION VECTOR1=9,18 AXIS=18,12 VECTOR2=12,5
tE: TORSION VECTOR1=11,15 AXIS=15,46 VECTOR2=46,61
tF: TORSION VECTOR1=15,46 AXIS=46,61 VECTOR2=61,57


METAD ...

ARG=tA
SIGMA=0.3
HEIGHT=2.5
BIASFACTOR=15
PACE=500
GRID_MIN=-pi
GRID_MAX=pi
GRID_BIN=300
TEMP=300
LABEL=metad
FILE=HILLS

... METAD


PRINT ARG=tA,tB,tC,tD,tE,tF,metad.bias STRIDE=100 FILE=COLVAR

ENDPLUMED