[gmx-users] g_sas area

Eric Smoll ericsmoll at gmail.com
Mon Aug 18 18:12:30 CEST 2014

Hello Yao,

Running "g_sas -h" will print out some helpful information. It reads:

"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."


On Mon, Aug 18, 2014 at 10:00 AM, xy21hb <xy21hb at 163.com> wrote:

> Dear all,
> I just wanna calculate the SAS of a protein in a protein-in-water binary
> system,
> when I use g_sas, it asks me for a caculation group and output group,
> I wonder how I should make the selection in this case.
> And what would be the meaning if I choose the whole system for both groups?
> Thanks,
> Yao
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