[gmx-users] g_sas

Justin A. Lemkul jalemkul at vt.edu
Sat Apr 3 20:36:09 CEST 2010

Chih-Ying Lin wrote:
> Hi
> The command
> g_sas => 
> Select a group for calculation of surface and a group for output
> What is the difference between "a group for calculation of surface" and 
> "a group for output"?

Please consult the documentation.  From g_sas -h:

"The program will ask for a group for the surface calculation and a group for 
the output. The calculation group should always consists of all the non-solvent 
atoms in the system. The output group can be the whole or part of the 
calculation group."


> Thank you
> Lin


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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