maleki.afsaneh at gmail.com
Wed Mar 14 18:07:37 CET 2012
I have a system that is contained of protein-water-ions. There, I
select the whole protein first for calculation, and then this protein
for output. I used the following command:
g_sas -f free.xtc -s free.tpr -o area -or res_area -oa
atom_area –q -nopbc
In this way I can obtain Area per residue from "res_area" file and
area per atom from "atom_area" file.
How to get area per residue by data of area per atom from "atom_area"
file? When I average on area per atoms for a selected residue, it
doesn't correspond with area per residue for a selected residue from
How to correlate area per residue for a selected residue with area per
atoms for a selected residue?
Thanks in advance,
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