[gmx-users] Simulated annealing

Albert Sun albert_sun9 at yahoo.com
Thu Jul 31 23:29:01 CEST 2003

How can we use other molecules to replace protein and solvent when using genbox?
could we use other .gro files to replace protein.gro and spc216.gro ?    
Osmany Guirola Cruz <osmany.guirola at cigb.edu.cu> wrote:
Thanks Xaviier

Xavier Periole wrote:

1) How can i use genbox to insert extramolecules of solvent?

a simple genbox -h gives you the answer. But basically something like :
genbox -cp protein.gro -cs spc216.gro -nmol <number of molecules you want> 
            -try ......
take a look.

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