Please copy to the mailing list, thanks.
Ray, I have a couple other questions.
Regarding fix NVT. Is there any physical difference of the end result of
fix 1 all nvt temp 300 300 0.1
fix 1 all nvt temp 0.1 300 0.1
Do they produce the same thing?
No. One equilibrates at a constant T, the other heats up gradually
over the course. Run some tests yourself to further investigate the
I am not sure too about velocity command. If I initiate a certain velocity,
will that produce unphysical results?
Depends. Why not try for yourself?
These questions are more MD questions than LAMMPS questions.