Dear gromacs-users,
I thought of sending this query again as I did not get any response in my last
email.
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.
Jagannath
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