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- Mon Jul 06, 2009 11:55 am
- Forum: OpenMM
- Topic: Efficient protein-ligand interaction energy
- Replies: 3
- Views: 644
RE: Efficient protein-ligand interaction ener
<t>Hi John,<br/> <br/> We are working on the potential energy kernels and have just completed those for bonded interactions. My time estimate for nonbonded interactions including OBC GBSA is roughly 2-3 weeks from now. They should be included in future releases of OpenMM following that date.<br/> <b...