I am not sure. How can I check it? I think as you.but I don't know what and how can I modify it.
On Thu, Oct 14, 2010 at 1:52 PM, ms <[email protected]> wrote: > On 14/10/10 08:51, mohsen ramezanpour wrote: > >> Dear All >> >> I am running a seamulated anneaking + MD in my cluster. >> I had done it for 2 times. >> but my results are not as i expect. >> I have attached my md.mdp file for you,I don't know which part of it is >> wrong. >> what i like to result is to change tempreture from 420 in 0 ps to 450 in >> 20 >> ps and then gradually lowering tempreture to 300 in 850 ps.and >> this fix tempreture by the end of simulation. >> but all of my result who I extract T-plot of them show me just untill 2 >> ps. >> then it is incomplete. >> > > Are you sure your simulation doesn't crash? > > > Really I don't know what I must to do. >> Please let me know my wrong. >> Please guid me and edit my md.mdp file for this foal if it is possivle. >> I am waiting for your reply >> Thanks oin advance for your reply >> >> Sincerely >> Mohsen >> >> >> > -- > 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 >
-- 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
