[gmx-users] Pressure flutuation

Dallas Warren dallas.warren at vcp.monash.edu.au
Mon Nov 8 01:01:19 CET 2004

>I´d like to know if in your simulations, the pressure flutuations are too 
>big. Because in both, nvt and npt ensemble, my pressure flutuation is so 
>much big. I have used couples like 0.2 and 0.5 but the flutuations 
>continue big.

FYI, couple I have here handy to look at vary between +500 and -500 for the 
pressure, varies greatly between times it is recorded, but long term 
average tends to 1 atm.

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9083
When the only tool you own is a hammer, every problem begins to resemble a nail.
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