[gmx-users] Meaningless pressure values: NVT and NVE ensembles

[Francesco Mambretti]

Statistics over 5000001 steps [ 0.0000 through 5000.0000 ps ], 5 data sets
All statistics are over 5001 points

Energy                      Average   Err.Est.       RMSD  Tot-Drift
-------------------------------------------------------------------------------
Potential                  -8.01936     0.0002  0.0343012 0.00109667  (kJ/mol)
Kinetic En.                0.609979    0.00025  0.0343031 -0.00177542  (kJ/mol)
Total Energy               -7.40938    0.00012 0.000258549 -0.00067874  (kJ/mol)
Temperature                 49.3659       0.02    2.77617  -0.143686  (K)
Pressure                    1673.27       0.39    72.7637    1.45487  (bar)

This is my ouptut...still a too short run?
It is strange, because other values are reasonable...

Francesco