That is indeed strange. Could it be because of the compressibility = 0 in the first coordinate direction? if your simulations start with a badly adjusted (minimized) structure in the TPR then it might get stuck there because the 0 compressibility might not allow any change in the box dimensions along that coordinate.
Shreyas On Wed, Jun 13, 2018 at 7:47 PM Alex <alexanderwie...@gmail.com> wrote: > Dear all, > I have mixture of two types of short polymer in aqcuse solution on top of a > slab surface. After NVT equilibration, I run NPT with ref-p = 1 > semiisotropically, below is part of my npt.mdp file. > I wonder why the pressure in the system is stable around *30000* after 3ns > in spite of of ref-p = 1? > > > pcoupl = berendsen > Pcoupltype = semiisotropic > tau-p = 2.0 > compressibility = 0.0 4.46e-5 > ref-p = 1.0 1.0 > refcoord-scaling = com > > Thanks. > Regards, > Alex > -- > 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. > -- Shreyas Sanjay Kaptan -- 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.