Hi, I don't know if sasa calculations are implemented in gromacs. But if you know a little bit of Python you can use MDTraj for that:
http://mdtraj.org/latest/examples/solvent-accessible-surface-area.html or also Pymol: https://pymolwiki.org/index.php/Get_Area Cheers, Simone Il mar 23 apr 2019, 11:07 Shan Jayasinghe <shanjayasinghe2...@gmail.com> ha scritto: > Dear Gromacs Users, > > I did replica exchange molecular dynamics simulation which contains 25 > replicas. Now I want to calculate the solvent accessible surface area of > the surfactant (the first replica in my REMD) I used in my simulation at > 298 K. How can I do that? > > Can anyone help me? > > Thank you. > -- > 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. > -- 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.
