Dear gromacs users, I have a very basic doubt regarding mdrun. Is there any difference between "doing final MD for 100 ns at a stretch" and "doing the same with a 10 ns step size (*i.e., 10ns....20ns....30ns........100ns*) " on a cluster of 256 processors. I have read some where that continuous MD of longer simulations will cause spurious drifts in velocity and energy, errors in velocity correlation....etc. Please advise me in this regard.
Thank you and Happy DIWALI -- With Best Wishes Venkat Reddy Chirasani PhD student Laboratory of Computational Biophysics Department of Biotechnology IIT Madras Chennai INDIA-600036 -- 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
