[gmx-users] Ion parameters in OPLS AA force field
dommert at icp.uni-stuttgart.de
Tue Mar 20 14:24:14 CET 2012
there are several ion non-bonded ion parameters provided in the OPLS-AA
files of Gromacs, and the reference from an article Jorgensen et al.
from 2001. However I was not able to find the corresponding atom types
in this article and so far also not in any other article of the OPLS-AA
authors. Does anyone have an idea where these parameters come from ?
Dipl. - Phys.
Institute for Computational Physics
EMail: dommert at icp.uni-stuttgart.de
Tel.: +49 - (0)711 - 68563613
Fax.: +49 - (0)711 - 68563658
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