[gmx-users] How to apply distance restraints.

David Mobley dmobley at gmail.com
Wed Jun 1 20:14:26 CEST 2005

What do you mean by "not working"?

On 5/31/05, Kirti Patel <kirti at chem.iitb.ac.in> wrote:
> Dear All,
> I am working with 16mer peptide with L and D chirality. I want to put
> distance restraints for four
> of its residues. For a poly L conformation, distance restraints are
> properly applied but for
> heterotactic peptide the distance restraints are not working. Can anybody
> help me in these regard.
> Also one the histidines imidazole ring moves out of plane (gets tilted) during cooling in
> simulated annealing specially if it is of D chirality. Any suggestions in these are most welcome.
> Thank you.
> Waiting for reply.
> Kirti Patel
> "Research Scholar"
> Bio-organic Lab,                     Room No. c307
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>                    Indian Inst. of Technology
>                             Bombay
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