[gmx-users] Pressure Coupling

[George Abadir]

Hi,
     I want to fix the pressure during the simulation so I use pressure 
coupling. I set the reference potential to 1 (the unit is bar as the 
manual says). Nevertheless, the log file shows much higher pressures 
(can reach the order of  1e+03 and again it seems the unit is bar). 
Moreover, it fluctuates alot, both for Berendsen and Parrinello-Rahman 
coupling. Can anybody help me to identify the reason?
     Thank you very much,
Regards,
George