[gmx-users] g_sas

[Justin A. Lemkul]

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."

-Justin

> Thank you
> Lin
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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