mol_rep_gbis.namd

#NAMD Config file

#input
structure               mol.psf
coordinates             mol_gbis.coor

paratypecharmm          on
parameters              mol.prm

#Basic dynamics
exclude                 scaled1-4
1-4scaling              1

#Simulation space partitioning
switching               on
switchdist              9
cutoff                  10
pairlistdist            12

#Multiple timestepping
timestep                1
stepspercycle           20

#Langevin dynamics
langevin                on;
langevinDamping         2;

#colvars
colvars                 on
colvarsConfig           colvars.tcl