[gmx-users] box size

Dallas Warren dallas.warren at vcp.monash.edu.au
Fri Oct 17 01:31:01 CEST 2003


>Is there any influence on the md run result if the box size of the whole
>system is set too big or too small by editconf? The number of water
>molecules of the system is fixed so I don't use genbox to fill in water
>in the box.

Depending on the setting for the simulation used, the box will resize once 
the simulation commences.

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
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