[gmx-users] LIGAND ERRORS

Dallas Warren dallas.warren at vcp.monash.edu.au
Tue Dec 16 00:56:01 CET 2003


>I've tried running simulations using my ligand-protein complex and
>initially with the drug-receptor tutorial from dr. kerrigan.
>However, each time I solvate the box, the create a box , its size is
>huge:
>  system size :103.000  3.861  4.761 (nm)

So in the solvation step (genbox -cp -cs -p -o) the dimensions of the box 
is changed?

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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