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

Hu Zhongqiao zhongqiao_hu at nus.edu.sg
Tue Aug 21 13:29:26 CEST 2007


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
incorrect."
 
I want to ask if g_sas for the gmx3.3.1 can give correct resarea and
atomarea. 
 
Thanks in advance,
 
Zhongqiao Hu
 
Department of Chemical and Biomolecular Engineering
National University of Singapore
 
 
 
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