[gmx-users] Problems getting Nitrate oplsaa parameters
carlos.navarro87 at gmail.com
Tue Sep 11 17:14:59 CEST 2018
I’m trying to obtain the parameters of nitrate for the oplsaa force field
without luck. Doe someone knows a way to obtain parameters for small
molecules, using the oplsaa paremeters?
I remember that a few years ago, a software was available (link ->
http://frolov-pchem.wikispaces.com/Downloads ) that was able to convert
.cms parameters (from maestro/desmond to gromacs), but know the link is not
Carlos Navarro Retamal
Bioinformatic Engineering. PhD.
Postdoctoral Researcher in Center of Bioinformatics and Molecular
Universidad de Talca
Av. Lircay S/N, Talca, Chile
E: carlos.navarro87 at gmail.com or cnavarro at utalca.cl
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