Can't say On the information given, something about the protocol might be too aggressive.
Mark On Fri, Jun 7, 2013 at 7:56 AM, Venkat Reddy <[email protected]> wrote: > Dear gmx-users, > I am experiencing some strange things while performing mdrun. I am running > a CG simulation and it is terminating with LINCS warnings after approx. > 500ns of simulation. If I restart it with the check point file, then its > running with out any errors. Is my simulation is reliable?? I am using > Gromacs-4.5.5. > > Thank you > > -- > With Best Wishes > Venkat Reddy Chirasani > PhD student > Laboratory of Computational Biophysics > Department of Biotechnology > IIT Madras > Chennai > INDIA-600036 > -- > gmx-users mailing list [email protected] > 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 [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
