Hi Iman, If I understand, you are planning on calculating the surface tension of water?
To me, it seems odd that you would try to apply a surface-tension couple to your system, and then calculate the surface tension. Dan On Thu, Aug 10, 2017 at 5:42 AM, Iman Ahmadabadi <imanahmadabad...@gmail.com > wrote: > Dear Users, > > I'm determining my .mdp file for NPT equilibration, but I don't know how to > determine the ref_p section of mdp. > > pcoupl = berendsen > pcoupltype = surface-tension > tau_p = 0.5 0.5 > ref_p = 1.0 1.0 > compressibility = 4.46e-5 4.46e-5 > > I'm gonna to calculate surface tension for a layer of water. > > Sincerely, > Iman > -- > 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.