[gmx-users] 3D density Map
jmondal2004 at yahoo.co.in
Tue Nov 29 22:00:57 CET 2011
Dear Gromacs users,
I was wondering whether there is any way to calculate the 3D density map of a particular selection of protein-water system ( say the water near the protein backbone) in gromacs.
I guess g_densmap provides a 2D map of the density. But I was looking for 3D map of density. I presume it might have to do with calculating volume of a space. But, I am not sure how to do it in gromacs.
Any help will be appreciated.
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