Re: [gmx-users] umbrella sampling pull_group0 adn pull_group1

You should define the proper groups in your index file. Then put their names into pull_group0 and pull_group1 of the mdp file. On Thu, Jun 30, 2011 at 9:21 AM, sreelakshmi ramesh < sree.laks...@research.iiit.ac.in> wrote: > Dear all, > i wanted to do umbrella sampling on petide which is

[gmx-users] umbrella sampling pull_group0 adn pull_group1

Dear all, i wanted to do umbrella sampling on petide which is completely folded.now in mdp file there is a option pull_group0 and pull_group1 i just know the ref group and the one to which pulling force has to be applied in pdb file their atom numbers are 201 adn 61 .how should i ment