Re: [gmx-users] SS bond forcing

How long the MD simulation should be? The problem is that I run multiple simulation (a hundred at a time) and the MD are really time consuming. I should probably can't do it, if the time you propose is too long, I probably forget it. Thank you -- Pierre THEVENET Ph.D

Re: [gmx-users] SS bond forcing

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) -- Pierre THEVENET Ph.D. Candidate INSERM - MTi Ecole

Re: [gmx-users] SS bond forcing

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

Re: [gmx-users] SS bond forcing

Thank you for your help, I tried to do as indicated in the link to send to me, but it seems that it didn't change anything. Could you show me an example, to better understand what I am doing wrong? Thank you Pierre THEVENET Le 06/04/2012 17:19, Justin A. Lemkul a écrit : pitheve

[gmx-users] pdb2gmx -ss option

but not ss interactive selection. Could you help me? Thanks -- Pierre THEVENET -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before