[AMBER] Can a PDB be loaded directly into cpptraj without a topology?

From: Matthew Guberman-Pfeffer <matthew.guberman-pfeffer.uconn.edu>
Date: Sat, 25 Sep 2021 12:09:30 -0400

Dear Amber Community,

I’d like to use some of the structural analysis tools in cpptraj, but without preparing a topology file if possible. Is it possible to load a pdb directly into cpptraj?

Best,
Matthew
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Received on Sat Sep 25 2021 - 09:30:02 PDT