Project ID: plumID:21.015
Source: US/CBM5/plumed16.dat
Originally used with PLUMED version: 2.5
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

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

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=1.2

PRINT ARG=distx,restraint-bnd.bias STRIDE=5000 FILE=COLVAR16