Hi Andrea,
Thank you so much for bringing forth the paper. I have performed a MD
simulation and would very much like to use the tool mentioned in the
paper to calculate the binding free energy.
Is it possible for you to kindly give me an access to the same and
also a brief explanation as to how to
Dear all,
I would like to bring to your attention this paper
http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0046902 in which we made a tool
to perform MM/PBSA binding free energy calculation in automatic fashion, using torque/pbs parallel
system implemented in most clusters
Dear gmx-users,
I ran several MD simulations using Gromacs 4.5.4 version, and now I'd
need to calculate binding free energies using the MM-GBSA method. I
searched through the manual and through the gmx-users archive, but I
didn't find a way to do it. I found an old post in which it appeared
t
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