[gmx-users] Force field For Protein-Ligand Complex

rajendra kumar rjdkmr at gmail.com
Mon Feb 2 11:28:09 CET 2015

You may also use Amber99sb-ildn and GAFF for protein and ligand,
respectively. You can find method in this paper:
http://pubs.acs.org/doi/full/10.1021/ci500020m. Although, AM1-BCC method
was used for charge calculations, I would suggest to use RESP method.

With best regards,

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