[gmx-users] Can the g_sas in the gmx3.3.1 give correct resarea andatomarea?

Berk Hess gmx3 at hotmail.com
Mon Aug 27 14:58:12 CEST 2007

>From: "Hu Zhongqiao" <zhongqiao_hu at nus.edu.sg>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: <gmx-users at gromacs.org>
>Subject: [gmx-users] Can the g_sas in the gmx3.3.1 give correct resarea 
>Date: Tue, 21 Aug 2007 19:29:26 +0800
>I calculated SASA using g_sas for three proteins with -r and -oa and
>found that the atom area for one protein is considerably larger than two
>others. I dont know it is due to the nature of different proteins or
>something incorrect for the command g_sas itself. And I checked the
>mailing list and found that Berk once said in 2003
>"The -r and -oa (resarea and atomarea) output of g_sas has always been
>I want to ask if g_sas for the gmx3.3.1 can give correct resarea and
>Thanks in advance,
>Zhongqiao Hu
>Department of Chemical and Biomolecular Engineering
>National University of Singapore

Yes, they should be correct.


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