Project ID: plumID:19.071
Source: MFI_paper_scripts/Ibuprofen_patching/plumed_FES.dat
Originally used with PLUMED version: 2.4
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

#torsion1 between vector C1,C2 and C10,C11 with axis C2,C10
t1: TORSION VECTOR1=5911,5910 AXIS=5919,5911 VECTOR2=5919,5920

#torsion2 between vector C7,C10 and C11,C12 with axis C10,C11
t2: TORSION VECTOR1=5919,5916 AXIS=5920,5919 VECTOR2=5920,5921

#metadynamics
METAD ...
ARG=t1,t2
SIGMA=0.1,0.1
HEIGHT=0.96
PACE=500
BIASFACTOR=10.0
TEMP=300.0
LABEL=metad
FILE=HILLS
GRID_MIN=-pi,-pi
GRID_MAX=pi,pi
GRID_BIN=350,350
... METAD

PRINT ARG=t1,t2,metad.bias FILE=COLVAR