[gmx-users] Pressure Coupling

George Abadir georgea at ece.ubc.ca
Tue May 1 05:24:53 CEST 2007

Thank you very much for the reply, and I'll try to better search the 
board first :)

Dallas B. Warren wrote:

>Issue like this has been discussed previously, try searching the
>emailing list for a solution first before posting.  Means you get your
>answer faster :-)
>Pressure is a macroscopic property that is being monitored and adjusted
>on a microscopic scale.
>A variation of that order is entirely normal.  How much and quickly it
>varies depends on what type of coupling you use and the coupling
>constants.  My own simulations oscillate between roughly 400 bar and
>-400 bar.
>Catch ya,
>Dr. Dallas Warren
>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 9524
>When the only tool you own is a hammer, every problem begins to resemble
>a nail.

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