[gmx-users] Problems getting Nitrate oplsaa parameters

[Carlos Navarro]

Dear all,
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
available anymore.
Best regards,
Carlos
——————
Carlos Navarro Retamal
Bioinformatic Engineering. PhD.
Postdoctoral Researcher in Center of Bioinformatics and Molecular
Simulations
Universidad de Talca
Av. Lircay S/N, Talca, Chile
E: carlos.navarro87 at gmail.com or cnavarro at utalca.cl