There are hydrophilic and hydrophobic SASA values versus simulation time in the output file (area.xvg). I want to hydrophilic and hydrophobic SASA values versus residue.
2011/7/7 Justin A. Lemkul <[email protected]> > > > ahmet yıldırım wrote: > >> Dear users, >> >> I want to calculate hydrophilic and hyrophobic SASA value of each residue >> in protein. I used a command as the following: >> >> g_sas -f run.xtc -s run.tpr -or protein_protein.xvg >> Select a group for calculation of surface and a group for output >> select a group: 1 (protein) >> select a group: 2 (protein) >> >> But there is SASA value of each residue in the output file. How can I >> seperate the residues as a hydrophilic and hyrophobic SASA? >> >> > This is already in the output file. Check the legends of area.xvg and you > will see. > > -Justin > > -- > ==============================**========== > > 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<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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 [email protected]. > Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> > -- Ahmet YILDIRIM
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