# coarse-grained spce water

units		lj
dimension	3
boundary	p p p
atom_style	atomic

read_data      input.data

velocity	all create 1 87287

pair_style	table linear 1000
pair_coeff	1 1 CG_CG.pot VOTCA 2.4

timestep	0.001
#thermo_modify lost ignore
fix		1 all nvt temp 1.0 1.0 100.0

thermo		100
run		10000

dump		1 all atom 10000 traj.dump
run		200000
