[gmx-users] comm_grps

priyanka srivastava priyankaps4 at yahoo.com
Wed Jan 23 13:58:59 CET 2008

Dear All,

I am a little confused with the application of
comm_grps. I have a lipid-peptide system in which I am
using the default values i.e. 

comm_mode: linear
nstcomm: 1
comm_grps: whole system

Is there something wrong with defining comm_grps =
whole system for the lipid-peptide case? Is it
necessary to define lipid+peptide and solvent

Eagerly waiting for the reply,

Never miss a thing.  Make Yahoo your home page. 

More information about the gromacs.org_gmx-users mailing list