I am doing some simulation about decane, I set up the
system following the way that reported in the paper
describing OPLS potential, but I have get a total energy
with the value about several thousand.
Since I’ve done some trials like metal nano clusters and
bulk water, they all have a negative value.
I think a positive value of the total energy means that
the whole system is not in a stable condition, while those
ones have a negetive total energy means a relative
I would like to know, does the positive value of total energy
in my bulk decane system (300K) mean that I have done