ocourse my running took a few hours time.is it possible crashing? On Thu, Oct 14, 2010 at 2:54 PM, mohsen ramezanpour < [email protected]> wrote:
> 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 >> > >
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