[gmx-users] solvent spatial distribution

Jinyao Wang wangjy at ciac.jl.cn
Fri Dec 26 15:34:49 CET 2008


gmx-users,

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.

Happy New Year for everone in advance. 

              
                Jinyao Wang
        wangjy at ciac.jl.cn
          2008-12-26


More information about the gromacs.org_gmx-users mailing list