[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
> Department of Chemistry, Hostel 12
> Indian Inst. of Technology
> Bombay
> Ph. No.-022-25764780(Lab),
> 022-25764168(Lab)
> Fax No:-022-25767152
>
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