[gmx-users] Regarding mdrun

Mark Abraham mark.j.abraham at gmail.com
Fri Jun 7 16:46:31 CEST 2013

Can't say On the information given, something about the protocol might be
too aggressive.


On Fri, Jun 7, 2013 at 7:56 AM, Venkat Reddy <venkat4bt at gmail.com> 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
> --
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