AMBER Archive (2009)

Subject: [AMBER] nmr restraint for angle between vectors

From: Peter Varnai (
Date: Fri Aug 28 2009 - 20:10:20 CDT


I would like to restrain an angle between two vectors defined by 2x2
atomic positions. having read about the new restraints in sander
(amber10) it appears that although the angle between normals of planes
can be restrained, the simpler version of the same problem where the
user defines arbitrary vectors and then their dot product is restrained
is not available without modifying the code. I would be grateful if
someone can confirm that this is indeed the case.


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