Hi,
the review by David Pearlman can be very useful
in relation to FEP-type calculations
o Free Energy Calculations: Methods for Estimating
Ligand Binding Affinities
Chapter 2
In: Free energy calculations in
rational drug design
M. Rami Reddy & Mark D. Erion Eds.
Best regards,
Javier N.
Viswanadham Sridhara wrote:
Hello gmx-users,
I wanted to know whether there are any tutorials available on free
energy calculations with Gromacs.
I have done some survey, but was curious to find out any "decent"
tutorials available.
Thanks in advance,
-Vissu.
--
Viswanadham Sridhara,
Research Assistant,
Old Dominion University,
Norfolk, Va-23529.
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