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 wrong.<br>
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<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>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>