AMBER Archive (2007)

Subject: AMBER: improper dihedral

From: lishan yao (yaolisha_at_msu.edu)
Date: Fri Jan 26 2007 - 08:42:15 CST

Hi:
    I want to assign angle parameters for NH3 molecule. I don't know whether
I should use three angles or two angles and one improper dihedral angle to
restrain the molecule. Could you please comment on it?

Thank you!

Best,
Lishan

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