[gmx-users] Ion parameters in OPLS AA force field

Dommert Florian 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 ?


Florian Dommert
Dipl. - Phys.

Institute for Computational Physics
University Stuttgart

Pfaffenwaldring 27
70569 Stuttgart

EMail: dommert at icp.uni-stuttgart.de
Homepage: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert

Tel.: +49 - (0)711 - 68563613
Fax.: +49 - (0)711 - 68563658
-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 198 bytes
Desc: This is a digitally signed message part
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120320/85ff9ba0/attachment.sig>

More information about the gromacs.org_gmx-users mailing list