Hi Francesco, Thanks for ur reply and wishes. I couldn't remember exactly where I read this but what is your opinion on this discrete vs continuous runs ?
On Mon, Nov 12, 2012 at 2:10 PM, francesco oteri <[email protected]>wrote: > Hi, > happy diwali to you, too. > Can you please post a link where what you said is stated? > it seems quite strange to me! > > > > 2012/11/12 Venkat Reddy <[email protected]> > > > 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 [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 > > > > > > -- > Cordiali saluti, Dr.Oteri Francesco > -- > 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 > -- 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
