Hello, I have two questions about using g_rdf:
1. Is it meaningful to calculate the radial distribution of water molecules around a single atom of a surface residue, e.g. dangling OG1 oxygen of Threonine? (Does g_rdf takes care of the protein presence and the excluded volume?) 2. How will the RDF be calculated in a heterogeneous system? For instance, if you have protein in a solvent near a solvent's crystal's surface? What is considered as the bulk density of the solvent? Whole box? Thanks. Paymon
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