lammps/examples/peptide13bbbd83a65crunner
lammps/examples/peptide
13bbbd83a65crunner
README
README
If you get bogus, large energies on timestep 0 when you run this example in.peptide, you likely have a machine/compiler problem with the pair_style "long" potentials which use Coulombic tabling by default.
See the "Additional build tips" sub-section of the manual in Section_start.html in the "Making LAMMPS" section for details and suggestions on how to work around this issue.
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