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.