It really depends on what level of theory you want to have in your simulation. If this is simple temperature increase due to GHz AC electric fields, GMX has the provisions already, and there's no need to patch anything. If you need magnetic fields and explicit secondary radiation, i.e. MD coupled with the FDTD method for solving charge-coupled Maxwell's equations, I am not aware of any tools that can do this. Which is kind of strange, because it is both doable and useful.
Alex MJ> Dear Justin, MJ> How could I simulate a membrane protein while there is microwave radiations in MJ> one direction e.g. in direction of z-axis? Should I change the delta-lambda MJ> or Is this accessible via electric field option? If I have to use electric MJ> field option, should I patch the mdrun ( MJ> http://www.gromacs.org/Developer_Zone/Programming_Guide/Patching_mdrun)? MJ> I will appreciate it if you could answer these questions. MJ> Best, MJ> Mostafa -- 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.
