[gmx-users] parameter of RB potential for OPLS force field

Yanmei Song ysong30 at asu.edu
Sat May 16 00:26:28 CEST 2009

Dear Justin:

If I have the parameters of GROMOS force field for the proper dihedral,
which i think they are phi and k for function 1 for periodic type. I wanted
to use OPLS force field. As far as I know in OPLS  the dihedral was RB
potential in fuction 3. So my question is do you know any method I can
transfer this parameter to RB parameters? Or these two potentials have no
connections? Thanks

Yanmei Song
Ph.D. Candidate
Department of Chemical Engineering
Arizona State University
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