Hi, This combination is only available with the group scheme at this time, unfortunately. Probably it will work in the 2019 version.
Mark On Tue, Apr 10, 2018 at 2:00 PM Mateusz Bieniek <bieniek...@gmail.com> wrote: > I am simulating metallic surface together with proteins and I need to use > atom freezing to ensure that the pressure calculation is correct. > > In the documentation the user is told to use "energy group exclusions" > together with freezing atoms. However, the "energygrp-excl" does not work > together with Verlet cutoff-scheme - and has not worked for at least two > years now. > > Is the "energy group exclusions" going to be implement any time soon? Do > you know any alternative way to use NPT together with freezing atoms? > > Thanks, Mat > -- > 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.