[gmx-users] Carboxylate OPLS-AA parameters

rankinb rankinb at purdue.edu
Sat Jan 25 14:49:51 CET 2014

Does anyone know of a paper that uses OPLS-AA parameters to simulate
carboxylate ions in water?  I am trying to determine the appropriate
Lennard-Jones parameters (for the carboxylate ion) to use.  

Purdue University
Department of Chemistry
Ben-Amotz Research Lab

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