[gmx-users] Free Energy Calculation Using Tabulated Potentials

[Nimesh Jain]

Hi,



I am having some troubles calculating free energies. Can someone please tell
me if I have tabulated potentials, can I calculate free energy using the
gromacs options in the mdp file for free energies.
(If someone has done it, can you please provide a sample topology file.)


Thanks,
Nimesh
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100720/153a6e19/attachment.html>