[gmx-users] g_sas, what should be "a group for output"
gmx3 at hotmail.com
Thu Jan 13 11:51:30 CET 2005
> > A very simple question, but I can not find any support from the manual
> > mailing list.
> > I have a system "protein in water". When I use "g_sas" to calculate the
> > hydrophobic/hydrophilic area of protein. I am asked to select a
> > group and a group for output. Of course, the calculation group should be
> > "Protein".
> > But what is "a group for output"? protein or solvent? And what is that
So you use the CVS version?
The manual (g_sas -h) explains this.
You should use protein as output group.
If you want to value for, for instance, one residue,
the calculation group should be protein and the output group the residue.
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