[gmx-users] The energy conservation of NVE system in Gromos96

[Tanping Li]

Dear all,

I am simulating the hyrdation issume of protein under
NVE  condition. We use Gromos96 force field. But the
energy coservation is poor. The parameter I used is:


dt       =0.002
rlist    =0.9
rcoulomb =0.9 (pme)
rvdw     =1.4 (cutoff)
nstlist  =10

Do you have any suggestion? Any suggestion will be
appretiated greatly. Thank you very much.


Best
Tanping