Re: [gmx-users] Please guide me

2010-10-14 Thread Justin A. Lemkul
mohsen ramezanpour 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. Look at the .log file for any indication of whether or not the job is still running. Check the .edr and .xtc files with gmxcheck to see how many frames they contain.

Re: [gmx-users] Please guide me

2010-10-14 Thread mohsen ramezanpour
ocourse my running took a few hours time.is it possible crashing? On Thu, Oct 14, 2010 at 2:54 PM, mohsen ramezanpour < ramezanpour.moh...@gmail.com> 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

Re: [gmx-users] Please guide me

2010-10-14 Thread mohsen ramezanpour
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 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. >>

Re: [gmx-users] Please guide me

2010-10-14 Thread ms
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 tempretur

[gmx-users] Please guide me

2010-10-14 Thread mohsen ramezanpour
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 gra