[gmx-users] How to apply distance restraints.
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
> Ph. No.-022-25764780(Lab),
> Fax No:-022-25767152
> gmx-users mailing list
> gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users