AMBER Archive (2005)

Subject: AMBER: sp2 carbon atom parametrization

From: Gustavo Pierdominici Sottile (gsottile_at_unq.edu.ar)
Date: Tue Jun 14 2005 - 11:30:16 CDT

Hi,
    I would like to know the standard way to parametrize the angles related
to an sp2 C. The system has H2C-N . There are two angle parameters to
specify: H-C-H and N-C-H. It is not posible to change one angle without
changing the other one. If someone knows the standard way so as to decouple
the energy terms, please let me know.
Thanking in advance
Gustavo

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