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.navarr...@gmail.com or cnava...@utalca.cl -- Gromacs Users mailing list
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