Hello, 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 ?
/Flo -- Florian Dommert Dipl. - Phys. Institute for Computational Physics University Stuttgart Pfaffenwaldring 27 70569 Stuttgart EMail: domm...@icp.uni-stuttgart.de Homepage: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert Tel.: +49 - (0)711 - 68563613 Fax.: +49 - (0)711 - 68563658
signature.asc
Description: This is a digitally signed message part
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
