AMBER Archive (2004)

Subject: AMBER: parameter

From: Gustavo Pierdominici Sottile (
Date: Wed Aug 11 2004 - 15:45:02 CDT

 I am writing because I have a big doubt, perhaps trivial.
Imagine I have the same molecule in two conformations with all the same
values except for a bending.
Is it possible to adjust the bending parameter to reproduce the difference
in energy, if the non bonded energy difference is higher than the ab initio
energy difference?

Thanking in advance


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