Hmm. This really isn't quite enough information to go on. Can you file a redmine issue, and include the files used to generate the run that crashed (.mdp, .gro,. .top), as well as the files that show it failing (.log)?
http://redmine.gromacs.org/ On Thu, Oct 3, 2013 at 4:32 AM, Jernej Zidar <jernej.zi...@gmail.com> wrote: > Dear Michael. > The simulations at each lambda point starts from the same structure > that I equilibrated (NPT ensemble) for 20 nanoseconds. The system has > ~7500 atoms in a box the size 5 nm x 5 nm x 5 nm. The molecule of > interest is located in the center of the unit cell. > > Thanks, > JErnej >> >> Sounds like the simulation is blowing up. How soon does it start crashing. >> >> Also, what configurations are you using to start your free energy >> simulations at each lambda? > > > > > -- > Windows: Re-Boot, Linux: Be-Root. > -- > 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
