Ok. Thank you for your help. I will try to do it and see if it not too time consuming.
-------------------------- Pierre THEVENET Ph.D. Candidate INSERM - MTi Ecole Doctorale B3MI Université Paris Diderot - Paris 7 2012/4/10 Justin A. Lemkul <jalem...@vt.edu> > > > Pierre THEVENET wrote: > >> In most cases (it is form predicted structures) if the bonds is not >> formes, the S atoms are at the opposite side of the backbone. And I work on >> peptides, so the length of the structure isn't that big (50 residues max) >> >> > Well, if you try the distance restraint approach, I'd do it in the absence > of any solvent since there likely will be rather large structural changes > (and thus very fast protein-solvent clashes as the restraints are > satisfied), unless the peptide is pretty compact. Really short MD should > tell you if this will even be feasible. > > -Justin > > > -- > ==============================**========== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before > posting! > Please don't post (un)subscribe requests to the list. Use the www > interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >
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