[gmx-users] Please guide me

[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 <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
>> 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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