[gmx-users] Pressure Coupling

Dallas B. Warren Dallas.Warren at vcp.monash.edu.au
Tue May 1 05:22:21 CEST 2007

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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