Hi All,
I am wondering if we wanted to look at per residue interactions on a per frame basis is there a cpptraj script to do that?
I can separately calculate H bonds per frame but what people need are a visual representation of a "interactogram" Which is for this RNA say its 20 bases people want to look at a histogram of interactions happening per frame per base with and without a ligand bound to it.
How can I achieve this using cpptraj?
Debarati
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Received on Mon Sep 15 2025 - 13:30:02 PDT
