[gmx-users] Microwave

[Alex]

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