Dear Votca,
I simply run ibi_pressure from spce directory. After completing the
simulation, the result of pressure does not converge to 1 even though the
target pressure is 1.
The closest pressure is 1.5667 in step_236. Does this means that
potentials in step_236 is useful for the simulation ready to go, if the
RDFs of tgt and new are good in shape?
Thank you.
Best regards,
Changwoon Jang,
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