[gmx-users] Tinker FF parameters vs. GROMACS

Timothy E Pegg Timothy.Pegg at Colorado.EDU
Mon Nov 15 22:56:48 CET 2010

Hi, All.

I have a non-standard force-field defined in TINKER, but I'd like to use it in GROMACS. The TINKER documentation doesn't do a good job of describing how they define their torsion functions. Does anybody on this list know how TINKER's torsion potentials are defined and possibly how to convert the parameters into RB dihedrals for GROMACS?


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