[gmx-developers] OPLS All-atom force field
lindahl at stanford.edu
Thu Jun 13 20:12:47 CEST 2002
I've finished implementing the OPLS all-atom forcefield in both the
stable and development branch.
If you want to do free energy runs you will need to use the development
branch, since it required a new tpr version to add support for free
energy runs with Ryckaert-Bellemans dihedrals.
The rtp file only contains protein residues right now, but I've added
atom types and parameters for the complete force field, so it's only a
matter of creating new residue entries.
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