[gmx-users] get structures

David van der Spoel spoel at xray.bmc.uu.se
Sun Jun 8 14:45:34 CEST 2008

shahrbanoo karbalaee wrote:
> Dear all  and Mark
> hi,
> I want  to get structures peptide during MD.(format pdb).how can  I get it?
> and the scond question,
> Dear Mark,IF I want to have average structure what do i do?let me  explain it.
> the peptide during MD has many structure.which structue  is insert in
> middle  structures? and then average structure....what is your idea?

please explore the wiki and the online resources.

David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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