[gmx-users] Pressure variation in NPT ensemble

nur avneet nuravneet at yahoo.co.in
Thu Dec 14 05:07:59 CET 2006

Dear all
 I set the pressure in NPT ensemble to 1bar..and run the simulation.
 But, the log file does not show the same pressure...for some cases it does remain close to 1 but in others it even shows around 4 bars of pressure.
 What is the significance of this variation...and what should i do to remaove this variation.
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