[AMBER] GIST vs. 3D-RISM

From: Thomas Fox <thomas_fox.gmx.net>
Date: Wed, 12 Aug 2015 17:36:45 +0200

   Hi,

   as a follow-up to my previous post: are there any opinions about using GIST
   vs. 3D-RISM (apart from computational cost), other than 3D-RISM gives a
   clearly static picture (one uses just a single protein structure / snapshot)
   whereas GIST is able to incorporate some aspects of flexibilty - although
   usually the protein is more or less restrained to a single structure as
   well...anybody done or published a comparison of the two methods?

   Thanks,
   Th.
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Received on Wed Aug 12 2015 - 09:00:05 PDT
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