[gmx-users] the average value of the pressure

[Mahboobeh Eslami]

Dear Gromacs experts
i simulated protein ligand complex by gromacs 4.6.3
I get following results for pressure in npt equilibration step:


Energy                      Average   Err.Est.       RMSD  Tot-Drift
-------------------------------------------------------------------------------
Pressure                    1.58469       0.47    77.8738      2.403  (bar)


but in production MD, i get following result 

 

Energy                      Average   Err.Est.       RMSD  Tot-Drift
-------------------------------------------------------------------------------
Pressure                   0.648902       0.13    70.6382   0.354397  (bar)



are the average values of the pressure reasonable. I'm confused. Please help me. 
Thank you sincerely