Re: AMBER: Comparison of simulation results on amber7 and amber 8

From: Carlos Simmerling <>
Date: Wed, 06 Oct 2004 13:21:54 -0400

sorry for the confusion. I don't ever use a cutoff in my GB simulations,
so what I meant was that with no nonbond cutoff you will still get one
for the radii in AMBER8 if you don't change RGBMAX. That's different
from AMBER7.

Carlos L. Simmerling, Ph.D.
Associate Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
Stony Brook University Web:
Stony Brook, NY 11794-5115 E-mail:

Sergio E. Wong wrote:

>Dear sirs, I was under the impression the CUT parameter in amber7 did
>both, cut-off nonbonded interactions AND set a radius for the born radii
>calculations. Therefore, the RGBMAX was not infinite; not all of the
>atoms were included in the born radii calculations. Am I mistaken?
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Received on Wed Oct 06 2004 - 18:53:00 PDT
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