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.
