Re: [AMBER] FW: Re: How to Calculate SASA with Amber?

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Sun, 19 Aug 2012 22:20:56 -0600

On Sun, Aug 19, 2012 at 9:59 PM, Jason Swails <jason.swails.gmail.com> wrote:
> However, if all you're interested in is calculating the surface area of a
> trajectory, I suggest looking into cpptraj, specifically the "surf"
> command, which can do this.

In addition to 'surf', check out the 'molsurf' command.

-Dan 

-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Sun Aug 19 2012 - 21:30:04 PDT
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