[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
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