CCL: using MMFF in CHARMM

From: Rick Venable <rvenable^at^pollux.cber.nih.gov>
Subject: CCL: using MMFF in CHARMM
Date: Mon, 25 Aug 2003 14:04:15 -0400

 I'm having some problems using MMFF (Merck Molecular Force Field) in
 CHARMM, when trying to import a PDB file with multiple molecules.
 Using GENERATE more than once doesn't seem to work, and if I try to read
 everything at once the C-term patching of the protein gets screwed up.
 I'd appreciate suggestions from anyone with experience using MMFF (or
 CFF, for that matter) for an enzyme with a drug in the active site.
 Regards,
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 Rick Venable           29/500
 FDA/CBER/OVRR Biophysics Lab
 1401 Rockville Pike    HFM-419
 Rockville, MD  20852-1448  U.S.A.
 (301) 496-1905   Rick_Venable^at^nih.gov
 ALT email:  rvenable^at^speakeasy.org
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 "Don't blame me, I voted for Kang."
                          Homer
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