Thank you justin. I will do the same.
On Tue, Apr 2, 2013 at 10:06 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 4/2/13 9:24 AM, rama david wrote: > >> Thank you Massimo sandal, Justin and mark , >> >> I also goes through the article and GMX archive. >> But I confuse with the protocol ( I am naive in REMD . >> So I want to conform protocol from the Expert and experience person ) >> >> I will be grateful to you for your suggestion. >> >> >> > The best training experience would be to take a simple example from the > literature and reproduce it. It is very hard to try to teach someone > completely via email, especially since we do not know the scope and goals > of what you are doing. > > With respect to the question about pressure coupling stability over 310 - > 360 K, I don't know offhand what to expect, but in general, I think this is > a standard limitation within REMD and you'll probably encounter it. Again, > find a protocol for a similar system and try to get things working. It > will be easier to help you if you have a known objective that has been > demonstrated to work. > > -Justin > > > -- > ==============================**========== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> > -- 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