Dear Mark, thanks, but degrees of freedom goes to kinetic energies, still LJ energies must be the same, yes?
Best regards On Fri, Nov 24, 2017 at 8:22 AM, Mark Abraham <mark.j.abra...@gmail.com> wrote: > Hi, > > Your systems have different available degrees of freedom, so they sample > difference spaces. The energies you observe reflect that difference. > > Mark > > On Mon, 20 Nov 2017 18:18 Faezeh Pousaneh <fpoosa...@gmail.com> wrote: > > > Hi, > > > > I have a system containing of a virtual site of carbon connected > > symmetrically to two dummy massive sites (no charge). like : M---C---M > > My problem is the results I get from simulation of this system is not > equal > > with results of single Carbon system simulation with mass of 2M (at > exactly > > similar conditions)? > > They produce different LJ coul energies, I have even tried for > non-charged > > systems. > > > > Thank you in advance for help, > > Best regards > > -- > > 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. > -- 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.
