AMBER Archive (2005)Subject: Re: AMBER: question about surface area to GBsurf calculation
From: David A. Case (case_at_scripps.edu)
Date: Thu Feb 10 2005 - 09:55:33 CST
On Wed, Feb 09, 2005, michael chen wrote:
>
> Does anyone happen to know what is the coefficient to
> relate surface area and non-polar solvation
> contribution in GB calculation?
> GBsurf=b*A
> A is the surface area, what is b though?
Please see p. 101 of the Users' Manual.
...dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
|