Please keep the mail list in the discussion.
I'm not clear what you are asking. If you run one
simulation with long-range (Ewald) and one without,
I wouldn't expect the thermo output to match.
Steve
Please keep the mail list in the discussion.
I'm not clear what you are asking. If you run one
simulation with long-range (Ewald) and one without,
I wouldn't expect the thermo output to match.
Steve