[gmx-users] Please guide me

mohsen ramezanpour ramezanpour.mohsen at gmail.com
Thu Oct 14 09:51:47 CEST 2010

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 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.
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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101014/5e157b42/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: md-new.mdp
Type: application/octet-stream
Size: 2066 bytes
Desc: not available
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101014/5e157b42/attachment.obj>

More information about the gromacs.org_gmx-users mailing list