Re: [AMBER] frcmod.ionsjc_*** file and water model

From: Brian Radak <radak004.umn.edu>
Date: Thu, 29 Aug 2013 09:48:36 -0400

Seongeun,

Joung and Cheatham (the J and C in "ionsjc") only explored ion parameters
for the three common rigid water models (in the literature at least). These
far and away receive the most use in AMBER. Very few users even make
routine use of the other water models, much less simulate ionic solutions
with them.

Hhowever, the analyses used to benchmark ions are fairly straightforward in
AMBER, and I'm sure the community would appreciate such numbers for as yet
untested water models.

Regards,
Brian 

--
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 Brian Radak                                             :     BioMaPS
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Received on Thu Aug 29 2013 - 07:00:02 PDT
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