Hello,
I try to use ptraj/cpptraj to sort my trajectory based on the
protein-ligand distance. I want to remove all of the snapshots in which
the distance between protein and ligand is greater than 15 angstroms and
store the rest of the trajectory into one PDB. Please give me some
suggestions.
Thanks,
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Received on Tue Mar 13 2012 - 18:30:02 PDT
