<div dir="ltr">You should define the proper groups in your index file. Then put their names into pull_group0 and pull_group1 of the mdp file.<br><br><div class="gmail_quote">On Thu, Jun 30, 2011 at 9:21 AM, sreelakshmi ramesh <span dir="ltr"><<a href="mailto:sree.lakshmi@research.iiit.ac.in">sree.lakshmi@research.iiit.ac.in</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">Dear all,<br>
i wanted to do umbrella sampling on petide which is<br>
completely folded.now in mdp file there is a option pull_group0 and<br>
pull_group1 i just know the ref group and the one to which pulling<br>
force has to be applied in pdb file their atom numbers are 201 adn 61<br>
.how should i mention this in mdp file. for pull_group0 and<br>
pull_group1 .<br>
<br>
regards,<br>
sree.<br>
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