Jinyao Wang wrote: > 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.
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 http://wiki.gromacs.org/index.php/Graphing_Data Mark _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
