AMBER Archive (2004)

Subject: AMBER: restrainted torsion

From: tang kwa (nongtangkwa_at_yahoo.com)
Date: Thu Dec 02 2004 - 07:18:43 CST

Dear all,

I have a quesiton about the restrained the torsion
angle. I would like to restrain the center of mass of
the residue as one atom. I cannot give the 'iat(3)<0'
because it will be distance restrained. How can I
define the COM for the torsion angle restrained?

Could anyone give me an advise?
TK

                
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