AMBER Archive (2002)

Subject: Re: partial charges

From: Carlos Simmerling (carlos.simmerling_at_sunysb.edu)
Date: Mon Jun 24 2002 - 20:38:35 CDT

The force field files can be downloaded here:
http://www.amber.ucsf.edu/amber/dbase.html

the all_amino94.in is probably what you want.
Carlos Simmerling

----- Original Message -----
From: "Osvaldo Santos-Filho" <sanfil_at_uic.edu>
To: <amber_at_heimdal.compchem.ucsf.edu>
Sent: Monday, June 24, 2002 8:33 PM
Subject: partial charges

> Hello Colleagues,
>
> I would like to know if you can send me a table (or list) of partial
charges
> for each atom of each of the essential aminoacids, as calculated by AMBER
> (RESP method).
> Thanks in advance!!!
> Best Regards.
> Osvaldo.
>
> =============================================================
> Osvaldo A. Santos-Filho, M.Sc., Ph.D.
> Postdoctoral Research Associate
> The University of Illinois at Chicago
> Department of Medicinal Chemistry and Pharmacognosy (M/C-781)
> College of Pharmacy
> 833 South Wood Street, Chicago, IL 606012-7231
> USA
>
>