[gmx-users] solvent spatial distribution
Mark.Abraham at anu.edu.au
Sat Dec 27 03:48:08 CET 2008
Jinyao Wang wrote:
> I have computed the rdf between a atom of solvent and a atom of solute
> and get rmin=0.43nm.I have also known the g_spatial can compute
> the solvent spatial distribution around a atom of solute. I could get
> a 3D solvent spatial distribution plot if I load the grid.cube into VMD.
> But if I want to get a 3D solvent spatial distribution plot within r<=0.43nm,
> I don't know how to do it. Any suggestion will be appreciated.
I'm not sure I understand your problem, but if you've computed an RDF
with a GROMACS tool, then you have it in an .xvg file. You can visualize
that immediately with GRACE, or other tools. See
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