[gmx-users] Density of ligand molecules around a particular residue

Pandya, Akash akash.pandya.15 at ucl.ac.uk
Sat Jun 8 00:21:02 CEST 2019


Hi all,

I want to calculate the density of ligand molecules around a particular residue. Is there a gromacs tool that can achieve this? I've explored gmx spatial, gmx densmap but have had no luck. Any guidance will be much appreciated.

Akash


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