Dear Lammps users ,
I have a question about the potential energy of the system that we can have as an output with thermo_style command and also compute pe command .
I am doing MD simulation on atoms confined between two Lennard-jones walls .
The potential energy that i get by “thermo_style” command is positive but with “compute pe” is negative !
Can you please let me know what probably can be the reason of this strange output ?!
Thanks in advance.