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.
