[gmx-users] umbrella sampling pull_group0 adn pull_group1

[Shay Teaching]

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.lakshmi at research.iiit.ac.in> wrote:

> 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 mention this in mdp file. for  pull_group0 and
> pull_group1 .
>
> regards,
> sree.
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