Dear David and Alex, Thanks for the replies. I'm happy that you will consider it. You are the developers and it is clear for you which file should be updated;
Dear Ali, My coding skills are very bad and I have no idea which file I need to look at. Best On Wed, Jun 20, 2018 at 12:02 PM, Ali Ahmed <aa5635...@gmail.com> wrote: > Hello, > I looked for that before and I tried updating the electric field code as > both of them are related to Lorentz force. Unfortunately, I failed because > there are different codes need to be updated. > It would be amazing if the developers participate in this code. > Thanks > Ali > > On Wed, Jun 20, 2018 at 3:28 AM, David van der Spoel <sp...@xray.bmc.uu.se > > > wrote: > > > Den 2018-06-20 kl. 10:20, skrev Alex: > > > >> David, > >> > >> I can think of many realistic cases when looking at the effects of > >> magnetic fields in MD would be of interest, just not in what Gromacs is > >> normally used for. > >> > >> It's just a completely different animal in terms of what causes those > >> effects and Lorentz force applied to point charges would likely be a > very > >> bad approximation. But in general, an implementation of self-consistent > >> MD+FDTD (i.e. MD + Maxwell's eqns) would be pretty amazing. > >> > > > > Feel free to open a redmine issue to discuss it there. > > We have an implementation of electric fields that can be used as a > > template. > > > > > >> Alex > >> > >> > >> > >>> Magnetic fields are typically very weak such that they are negligable > in > >>> realistic cases. This is why nobody bothered to implement it. > >>> > >>> > >> > > > > -- > > David van der Spoel, Ph.D., Professor of Biology > > Head of Department, Cell & Molecular Biology, Uppsala University. > > Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205. > > http://www.icm.uu.se > > -- > > 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. > -- Habiba Ali, Department of Chemistry, University of Mosul-Iraq -- 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.
