[gmx-users] work calculation

Aswathy ammasachu at gmail.com
Wed Dec 29 07:29:38 CET 2010


Hi all,

I want to calculate the work done of pulling one ligand through the channel.
I have pulled the molecule through the channel and I have the pullx and
pullf files.

I saw one post regarding this in the mailing list, but it was not given a
final solution. Can anyone help me?

Thanks,

-- 
Aswathy
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101229/e5b903dd/attachment.html>


More information about the gromacs.org_gmx-users mailing list