I am not sure.<br>How can I check it?<br>I think as you.but I don't know what and how can I modify it.<br><br><div class="gmail_quote">On Thu, Oct 14, 2010 at 1:52 PM, ms <span dir="ltr"><<a href="mailto:devicerandom@gmail.com">devicerandom@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div class="im">On 14/10/10 08:51, mohsen ramezanpour wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Dear All<br>
<br>
I am running a seamulated anneaking + MD in my cluster.<br>
I had done it for 2 times.<br>
but my results are not as i expect.<br>
I have attached my md.mdp file for you,I don't know which part of it is<br>
wrong.<br>
what i like to result is to change tempreture from 420 in 0 ps to 450 in 20<br>
ps and then gradually lowering tempreture to 300 in 850 ps.and<br>
this fix tempreture by the end of simulation.<br>
but all of my result who I extract T-plot of them show me just untill 2 ps.<br>
then it is incomplete.<br>
</blockquote>
<br></div>
Are you sure your simulation doesn't crash?<div><div></div><div class="h5"><br>
<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Really I don't know what I must to do.<br>
Please let me know my wrong.<br>
Please guid me and edit my md.mdp file for this foal if it is possivle.<br>
I am waiting for your reply<br>
Thanks oin advance for your reply<br>
<br>
Sincerely<br>
Mohsen<br>
<br>
<br>
</blockquote>
<br></div></div><font color="#888888">
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