Project ID: plumID:21.015
Source: MetaD/CBM5/post_processing/calc-weights.dat
Originally used with PLUMED version: 2.5
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

RESTART
WHOLEMOLECULES ENTITY0=721-887

a1: CENTER ATOMS=798-801 
a2: CENTER ATOMS=803-807 
a3: CENTER ATOMS=832-835 
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=798-801,803-807,832-835 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
BIASFACTOR=50.0
PACE=500000000
FILE=HILLS
GRID_MIN=0.0,0.0
GRID_MAX=75.0,35.0
GRID_BIN=375,175
LABEL=metad
... METAD


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