[gmx-users] Increasing system size

Dallas B. Warren Dallas.Warren at vcp.monash.edu.au
Mon Oct 10 03:37:07 CEST 2005


> I thought maybe there is genconf or some routine may help me, but I
dont know how?

Make a water box of the dimesions you require.  Translate the
coordinates using editconf so that it will be on top of your current
box, put the water coordinates from the gro file on the end of your
existing current box.  Adjust the current box dimensions to the correct
values and change your topology file to suit.

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 9073
When the only tool you own is a hammer, every problem begins to resemble
a nail. 

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