AMBER Archive (2004)

Subject: Re: AMBER: TOP file in AMBER7/8

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Mon Jun 21 2004 - 08:52:38 CDT

these are intrinisic Born radii for GB calculations.

----- Original Message -----
From: "Ting Wang" <wang_at_eml-r.villa-bosch.de>
To: "amber" <amber_at_scripps.edu>; "Ting Wang" <wang_at_eml-r.villa-bosch.de>
Sent: Monday, June 21, 2004 9:32 AM
Subject: AMBER: TOP file in AMBER7/8

> Dear AMBER users,
>
> Can any body tell me what is the part leading by "%FLAG RADII" in a
> amber7/8 TOP file? The numbers seem not to be atomic radii. Should one
> have to calculate atomic radii as doing with amber6 TOP files?
>
> Thanks,
>
> Ting
>
> --
> Dr. Ting Wang
>
> Molecular & Cellular Modelling
> EML Research gGmbH
>
> Villa Bosch
> Schloss-Wolfsbrunnenweg 31c
> 69118 Heidelberg
> Germany
> Tel: +49 6221 533 262
> Fax: +49 6221 533 298
> Email: ting.wang_at_eml-r.villa-bosch.de
> Web: http://www.embl-heidelberg.de/~twang
>
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