Its intresting that on the same system which was equilibrated longer the decrease on the Z dim was smaller (from 10 to 9nm). By the way does it possible to simulate membrane proteins (with explicit membrane) in the nvt enssemble without explicit barostat ? What options in the mdp should be added for such simulation ?
James 2013/1/28 Justin Lemkul <jalem...@vt.edu>: > > > On 1/28/13 8:45 AM, James Starlight wrote: >> >> Justin, >> >> yes, 2 A for C atoms. >> >> The dims are 8.68740 8.41864 10.00000 >> > > Well, with such a dramatic change, it should be fairly easy to simply watch > the trajectory and see what went wrong. > > > -Justin > > -- > ======================================== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > 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 > * Please search the archive at > 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 -- gmx-users mailing list gmx-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 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