Project ID: plumID:21.015
Source: MetaD/CBM73/post_processing/plumed_post_processing.dat
Originally used with PLUMED version: 2.5
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

RESTART
WHOLEMOLECULES ENTITY0=721-882


a1: CENTER ATOMS=793-797 
a2: CENTER ATOMS=809-812 
a3: CENTER ATOMS=828-832 
achi: CENTER ATOMS=1-720 

p1: POSITION ATOM=a1 NOPBC
p2: POSITION ATOM=a2 NOPBC
p3: POSITION ATOM=a3 NOPBC
pchi: POSITION ATOM=achi NOPBC


c: COORDINATION GROUPA=793-797,809-812,828-832 GROUPB=1-720 R_0=0.5 NLIST NL_CUTOFF=0.7 NL_STRIDE=100
distx: MATHEVAL ARG=p1.x,p2.x,p3.x,pchi.x VAR=a,b,c,y FUNC=((y-a)^2+(y-b)^2+(y-c)^2)^0.5 PERIODIC=NO

METAD ...
ARG=c,distx
SIGMA=0.5,0.5
HEIGHT=0.0
TEMP=300
PACE=500000000
BIASFACTOR=50.0
FILE=HILLS
GRID_MIN=0.0,0.0
GRID_MAX=70.0,35.0
GRID_BIN=350,175
LABEL=metad
... METAD

bias: REWEIGHT_BIAS TEMP=300
PRINT ARG=metad.bias STRIDE=1 FILE=bias RESTART=NO