AMBER Archive (2008)

Subject: Re: RE: RE: AMBER: point charges

From: David A. Case (case_at_scripps.edu)
Date: Sat May 03 2008 - 19:36:08 CDT

On Sat, May 03, 2008, Chih-Ying Lin wrote:
>
>
> This is an example of prepin file in the ..../dat/leap/prep
> Would you please explain about the meanings the three charge terms?

See the file formats web page: http://ambermd.org/doc/prep.html. The three
charge terms are the charges on the three atoms of the residue (in the same
order as they appear in the atom list).

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