[gmx-users] Extend water layer along negative Z-direction
tsjerkw at gmail.com
Sun May 31 11:37:57 CEST 2009
> The first thing that you need to do is to use editconf to increase your box
> z and then genbox to add more solvent. My script (and C-program) do not do
> this, they focus only on removing waters that are placed within your
Of course it is also trivial to edit the .gro file and change the
third number in the last line, that indicates the z-dimension. For a
.pdb file, it's the the third number in the line starting with CRYST1.
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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