[Re: [Re: problem to set Tdamp and Pdamp]]

will u clear me what physics of my system i have to check? any example

timesteps too large (check this with a simple NVE evolution and see
how is the energy conservation), atoms too close to each other, masses
way too low (that could make your timesteps too large, even when they
look about right).

but again, you should definitely LEARN some molecular dynamics. check
in any undergraduate textbook that talks about it (I found Frenkel's
quite useful, but you should try to crop out the more advanced-like
stuff first), this is way over LAMMPS

2013/7/30 <[email protected]...71...>: