Dear Gromacs Users, In determining the dielectric constant of water, in some similar systems that their difference for example is in the length of the box in z direction, I get different and also physically wrong results e.g non consistent values between <Mz^2> , <Mx^2>, and <My^2> and also in average volume over run, and because of this, I'm going to read about the details of the procedure and theory that gromacs calculates the dipole moments of molecules to determining the dielectric constant and related parameters (e.g average volume over run, <M> and <M^2> in each direction) but I cannot find the reference or paper that these things have been explained there. May you help me in this regard?
Respectfully, Iman -- 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.