[gmx-users] Please guide me

ms devicerandom at gmail.com
Thu Oct 14 12:22:36 CEST 2010

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

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