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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