Project ID: plumID:21.015
Source: US/CBM73/plumed8.dat
Originally used with PLUMED version: 2.5
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

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

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

restraint-bnd: RESTRAINT ARG=distx KAPPA=100.0 AT=2.8

PRINT ARG=distx,restraint-bnd.bias STRIDE=5000 FILE=COLVAR8