AMBER Archive (2004)

Subject: Re: AMBER: Units of Charges on Atoms

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Thu Jun 24 2004 - 14:49:43 CDT

from the AMBER web page
http://amber.scripps.edu/formats.html

FORMAT(5E16.8) (CHRG(i), i=1,NATOM)
  CHRG : the atom charges. (Divide by 18.2223 to convert to charge
           in units of the electron charge)

----- Original Message -----
From: "Johnson Agbo" <agboj_at_chem.unr.edu>
To: <amber_at_scripps.edu>
Sent: Thursday, June 24, 2004 3:22 PM
Subject: AMBER: Units of Charges on Atoms

> Dear All;
> Could somebody let me know the units of atomic charges in Amber7. All
> help is welcome.
> Johnson
>
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