Dear Dr. C. Simmerling,
Thank you for the information.
I have solved the problem with your suggestions.
Thanks once again.
regards
Siddharth
On Thu, May 7, 2009 at 5:19 AM, Carlos Simmerling <
carlos.simmerling.gmail.com> wrote:
> there is no chain designation in amber. all residues are numbered
> consecutively.
> if you load your prmtop and coordinates into VMD you can check residue
> numbers and use those.
>
> On Wed, May 6, 2009 at 11:17 PM, Siddharth Rastogi
> <siddharthrastogi08.gmail.com> wrote:
> > Dear AMBER users,
> >
> > I have a simple query. In my protein of interest, there exists two
> chains
> > with same number of amino acid residues.
> > I want to restrain few residues from chain A and few others from chain B.
> > Can anybody help me, what symbol will be used to specify each chain and
> > residues in a sander input file ?
> >
> > I was going like : 1-50.A.CA,C
> >
> > But sander replies back as:
> >
> > *Error in group input::atommask.f::residue_namelist
> > residue name should not have more than 4 chars*
> >
> > Can anybody help me in this regard.
> >
> > Thanks in advance.
> >
> > Siddharth
> >
> > --
> > Siddharth Rastogi
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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
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--
Siddharth Rastogi
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Received on Wed May 20 2009 - 15:05:31 PDT
