[gmx-users] Free energy calculations

Carlos Javier Nuñez Aguero carlosjn at ce.fis.unam.mx
Thu Sep 28 03:50:34 CEST 2006


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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