AMBER Archive (2006)

Subject: Re: AMBER: bugfix for impropers in parmchk

From: David A. Case (case_at_scripps.edu)
Date: Sat Feb 04 2006 - 12:50:15 CST

On Wed, Jan 18, 2006, Kateryna Miroshnychenko wrote:
>
> As I wrote before, I've found that parmchk treat impropers
> incorrectly: in frcmod some impropers were missing, others were
> written with central atom standing on the first position instead of
> the third one.

Please check the latest revision (version 1.24) of antechamber, from

     http://amber.scripps.edu/antechamber/antechamber.html

Junmei has updated the parmchk program in a way he things will solve these
sorts of problems. We would appreciate any feedback.

Thanks for your patience.

...dac

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