Fatal error:
Step 0: The total potential energy is 1.48763e+15, which is extremely high.
The LJ and electrostatic contributions to the energy are 1.48763e+15 and
-1.34765e+06, respectively. A very high potential energy can be caused by
overlapping interactions in bonded interactions or very large coordinate
values. Usually this is caused by a badly- or non-equilibrated initial
configuration, incorrect interactions or parameters in the topology.