I want to simulate the seawater.
To avoid the atoms overlay, I create the seawater orderly. I think they will become random after minimization. It looks well at the beginning, but suddenly the potential energy turn to minus. After a few step, it is -inf and the program stops without error messages. The attachment is the script and the log file.
h2o.txt (442 Bytes)
in.lammps (4.31 KB)
log.lammps (15.7 KB)
dump.atom (602 KB)