AMBER: rigid epoxide substrate

From: Dr M. Blomberg <>
Date: 20 Apr 2007 12:24:13 +0100

My substate contains an epoxide ring and I wonder how to treat the dihedral
force constants for the rigid part of the molecule. Using gaff strange
dihedral angles appears in the frcmod file, what should I do with these?

Best regards,

Mattias Blomberg
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Received on Sun Apr 22 2007 - 06:07:40 PDT
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