Dear Justin, As per the manual i have changed parameters as
tcoupl = berendsen tc_grps = Protein Non-Protein Chain_B tau_t = 1.0 1.0 1.0 ref_t = 310 310 310 ; pcoupl = berendsen pcoupltype = semiisotropic tau_p = 5.0 compressibility = 4.5e-5 4.5e-5 ref_p = 1.0 1.0 but i'm getting the error as Can not have dynamic box while using pull geometry 'direction-periodic' (dim z) -- 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.
