Hi, I want to measure the Hydrophobic and Hydrophilic components of the Solvent Accessible Surface Area. In the Tool Changes for 5.0 I found these command:
gmx sasa -s md.tpr -f md_traj.trr -surface 'group "A"' -output '"Hydrophobic" group "A" and charge {-0.2 to 0.2}; "Hydrophilic" group "B" and not charge {-0.2 to 0.2}; "Total" group "B"' And I tried changing "A" and "B" for "protein", but it is not working for me. Could you show me an specific example that worked for you? Thanks very much, NĂºria -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.