[AMBER] request for input files

From: Adrian Roitberg <roitberg.ufl.edu>
Date: Mon, 27 Feb 2017 13:24:56 -0500

Hi there.

Anyone in the amber-sphere has inputs for TI calculations for relative
binding energy of a ligand to a wild-type and a mutant protein ?

Any suggestions on how to create such inputs in a simple way ?

Thanks

adrian 



-- 
Dr. Adrian E. Roitberg
University of Florida Research Foundation Professor.
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Mon Feb 27 2017 - 10:30:03 PST
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