[gmx-users] Using editconf to center on 0 0 0 , then using genbox

Mark Abraham Mark.Abraham at anu.edu.au
Wed Aug 8 22:12:31 CEST 2007


Arneh Babakhani wrote:
> Hi,
> 
> I'm using editconf to center my sytem about the origin (0 0 0).  No
> problem there.
> 
> But then when I use genbox to solvate the resulting structure, the solvent
> is offset (not centered about 0 0 0).   Is there a way to correct this?

Have you tried editconf on the solvated structure? Why does it matter 
anyway?

Mark



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