Thanks Dmitry,
Hirdesh
On Fri, Jan 28, 2011 at 6:35 PM, Dmitry Nilov <nilovdm.gmail.com> wrote:
> ntr=1,
> restraintmask=':1-351 & !.H=',
> restraint_wt=2.0
>
> where 1-351 are numbers of residues of macromolecule (it is just example),
> see manual to learn about restraintmask and restraint_wt
>
> On Fri, Jan 28, 2011 at 3:20 PM, Hirdesh Kumar <hirdesh.iitd.gmail.com>
> wrote:
> > Hi All,
> > I want to minimize only the hydrogen and water molecules in my system
> > before doing any further constraint minimization. Can anyone suggest me
> > which parameter should I incorporate in the mdin file for the same?
> >
> > Thanks\
> > Hirdesh
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> >
>
>
>
> --
> Dmitry Nilov,
> Faculty of Bioengineering and Bioinformatics,
> Lomonosov Moscow State University
>
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Received on Fri Jan 28 2011 - 06:00:04 PST
