AMBER Archive (2005)

Subject: Re: AMBER: rborn(i) in egb.f

From: John Mongan (jmongan_at_mccammon.ucsd.edu)
Date: Tue May 03 2005 - 13:26:15 CDT

ambpdb -r outputs Born radii

egb.f uses the radii set in the prmtop file, which may or may not be Born
radii depending on what you did with set default PBradii in leap.

John

On Tue, 3 May 2005, Harianto Tjong wrote:

> Dear Amber users,
> I have a quick question about Generalized Born.
> Does anyone know whether the input parameters rborn(i) in egb.f routine ( if
> igb=2 ) adopting the same value of radii assigned by ambpdb -pqr command for
> a coordinate file ?
> I appreciate your answer.
>
> Best wishes,
> Harianto.
>
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