[gmx-users] Problem with positive total energy

Sunil Ghimire ghimiresunil48 at gmail.com
Thu Aug 6 07:17:33 CEST 2015

I simulated the mixture of argon and krypton(400 atoms).After equilibration
run with NPT ensemble at temperature 300k and pressure 1 bar with
compressibility 1 bar-1, I obtained required density and pressure but the
potential energy was negative and total energy was positive.Is it (positive
total energy ) matters or not?
  Best regards,
Ghimire sunil

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