[AMBER] force distribution analysis and Ewald

From: Thomas Pochapsky <pochapsk.brandeis.edu>
Date: Tue, 3 Oct 2017 14:57:01 -0400

Hi, We are trying to do a force distribution analysis of our solvated
dynamics tracks (looking for pairwise forces that might help trace out
mechanical coupling pathways in the protein).  We used PME for long
range interactions, is this likely to introduce errors when looking at
short range interactions such as adjacent pairwise interactions? 
Philosophical suggestions as well as practical ones welcome.

Tom Pochapsky

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Received on Tue Oct 03 2017 - 12:00:03 PDT
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