Re: [AMBER] same dihedral with different parameter in FRCMOD file

From: Dmitry Mukha <>
Date: Sat, 10 Jul 2010 17:21:22 +0300

2010/7/10 Xioling Chuang <>

> I used gaussian output to generate forcefield parameters using antechamber
> in AmberTools 1.3. My molecule is a DNA analogue. In frcmod file I got the
> same dihedral with different values of parameters, some part of frcmod file
> is listed below.
Is it about parmchk or there is a tool that extract force constants from
quantum calculations output automatically in Amber package?

Dmitry Mukha
Institute of Bioorganic Chemistry, NAS, Minsk, Belarus
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Received on Sat Jul 10 2010 - 07:30:03 PDT
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