how can we do that?> Date: Sun, 16 Dec 2007 19:55:30 +1100> From: [EMAIL
PROTECTED]> To: gmx-users@gromacs.org> Subject: Re: [gmx-users] coupling to
water bath> > pragya chohan wrote:> > Dear Users> > I have a system in of
protein with in bound chlorine ion. I also added > > Na ion to the system to
neutralize charge on system. I have to couple > > the system to water bath. can
i couple protein chlorine and Na together > > and solvent separately? or should
i couple protein and chlorine together > > and solvent and na together?> >
Don't use T-coupling groups that might have molecules isolated inside > regions
filled by other T-coupling groups. That won't be numerically stable.> > > I the
later case -n option would take in 2 index files. then what should > > I do?> >
You can make both groups inside the one index file.> > Mark>
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