[gmx-users] Regarding mdrun

[Venkat Reddy]

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