Hi Johannes, On Wed, Jan 8, 2020 at 11:29 AM Johannes Hermann <johannes.herm...@tum.de> wrote:
> Dear all, > > how is the virial computed when position restraints are applied? Are > forces due to position restrains included or excluded? > > Yes the the forces due to position restrains are included. But I think that this does not necessary imply that the pressure is well defined in NVT with position restrains I recall that you had such a question a while ago "Is the pressure well defined when I use position restrains in NVT?" Best regards Alessandra > Thanks! > > All the best > > Johannes > > -- > ______________________________________ > *Technische Universität München* > *Johannes Hermann, M.Sc.* > Lehrstuhl für Bioverfahrenstechnik > Boltzmannstr. 15 > D-85748 Garching > Tel: +49 8928915730 > Fax: +49 8928915714 > > Email: johannes.herm...@tum.de > -- > 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.