Lammps MD simulation help

HI Metin,

Thanks a lot for the suggestions. It is very helpful!
If may I would like to ask another small question from you. When I read through the .trj file from reax/c calculations, the "ensemble_type" always shows NVE even after I used fix nvt.
Is that just a typo from the program or actually I need to change more setting in order to get a ensemble different than NVE?



Hi Qing,

That's just a typo, nothing to worry about. Thanks for letting me know
though, I will try to take care of it when I get a chance.