Hi Amber:
I want to use antechamber to convert Gaussian Output to amber required TriposMol2 format. My molecule concludes
boronic acid and the returned information is "For atom[571]:B5, the best APS is not zero, bonds involved by this atom
are frozen".
I have searched keyword boronic in mailing list, there is a related message (
http://archive.ambermd.org/201302/0166.html) and the reply is that My first step would be a literature search for molecular mechanics parameters for boronic acids.
How to solve the molecule concluding Boron?
Thanks everyone
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Received on Sun Oct 06 2013 - 21:00:03 PDT
