Hello dear user, I have a system that is contained protein-water-ions. I used the following command: g_sas -f free.xtc -s free.tpr -o area -or res_area -oa atom_area –q -nopbc
I select the whole protein first for calculation, and then this protein for output.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 with 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 "res_area". How to correlate area per residue for a selected residue with area per atoms for a selected residue? Thanks in advance, Afsaneh -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
