I have some doubt about the pressure of my system. I minimized my stem
and then ran the NVE. The initial density of the system is equal to
the real density at 1 atmosphere. The output looks like:
Step Temp E_pair E_mol
10000 0 -1080.3783 8491.0025
The last term pressure seems to be very high. I am working in real
units, so pressure is 4260 atmospheres. Does it looks feasible. I
expect the value of pressure be close to 1.
I also used the compute command, and the values are close to this one.