[gmx-users] Please guide me
ramezanpour.mohsen at gmail.com
Thu Oct 14 13:32:19 CEST 2010
ocourse my running took a few hours time.is it possible crashing?
On Thu, Oct 14, 2010 at 2:54 PM, mohsen ramezanpour <
ramezanpour.mohsen at 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, ms <devicerandom at gmail.com> 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
>>> what i like to result is to change tempreture from 420 in 0 ps to 450 in
>>> 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
>>> 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
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