[AMBER] Are Amber able to analyze the feature of certain bond?

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

From: X Sun <egeh00.aol.com>
Date: Fri, 06 Sep 2013 21:09:24 -0600

Dear all,

I know that GAFF can not simulate the reactions with forming or breaking of bonds. Is it possible to analyze certain bond in the simulations? To acquire the information of bond energy and bond level and predict the trend of reaction.

Sincerely,

Xiaoquan Sun。

2013-09-06

X Sun
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Sep 06 2013 - 19:30:02 PDT