AMBER Archive (2007)

Subject: AMBER: rigid epoxide substrate

From: Dr M. Blomberg (mb635_at_cam.ac.uk)
Date: Fri Apr 20 2007 - 06:24:13 CDT

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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