[AMBER] Phenyl-boronic acid derivatives lacking of parameter in Mol2 file

From: 陈发生 <cfs.stu.xmu.edu.cn>
Date: Mon, 7 Oct 2013 11:48:07 +0800 (GMT+08:00)

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
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