Thanks, Andre! but I have found a lot of peppers, where people have applied constant surface tension simulation using Semi-isotropic coupling. Assuming that the stretching of the membrane is produced via difference in the ref_p along z and xy directions, does the pcoupltype=surface-tension mandatory for such simulations ? Should the xy compressibility be switched to zero assuming that I am interesting in the modeling of stretching of the membrane?
2017-09-25 17:15 GMT+02:00 André Farias de Moura <mo...@ufscar.br>: > it is quite well explained in the manual, pcoupltype=surface-tension > Andre > > On Mon, Sep 25, 2017 at 5:38 AM, Own 12121325 <own12121...@gmail.com> > wrote: > > > Dear Gromacs users! > > > > I wonder to ask whether is possible to perform simulations in NPgT > ensemble > > with the explicit definition of the surface tension value. My system is > > composed of the lipid bilayer solvated in water. > > > > I have found that switching compressibility along x-y to zero and > > introducing bigger negative ref_p along this direction will produce > lateral > > tension on the bilayer according to > > > > g =b*(Pz – Py), where b - is the averaged height of the simulation box > > > > > > I wonder to ask if it also can be realized instead via introduction of > some > > gamma_tension constant as a scaling factor ? > > > > > > Thanks you! > > > > > > Gleb > > -- > > 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. > > > > > -- > _____________ > > Prof. Dr. André Farias de Moura > Department of Chemistry > Federal University of São Carlos > São Carlos - Brazil > phone: +55-16-3351-8090 > -- > 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.