[gmx-users] Estimation of free energy using Linear Response method

[Vasileios Tatsis]

Dear Gromacs Users,

I would like to ask how the Linear Response method can be applied for the calculation of free energy using the Gromacs package?
More specifically, I am interested in the set-up of the MD protocol and the parameters of the input files.


Thanks in advance for your help
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111118/c3146f3e/attachment.html>