AMBER: Scripts for md analysis

From: Francesco Pietra <>
Date: Tue, 18 Dec 2007 03:05:24 -0800 (PST)

Is any script available to accomplish the tasks of script
measure_equil_rmsd.ptraj (tutorial B3) to account also for a non-covalently
bound, non-polymeric ligand of the protein?

I am getting meaningful processing only if I limit the script to the backbone
CA, C, N atoms of the protein. I would like to include the ligand.

francesco pietra

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Received on Wed Dec 19 2007 - 06:07:28 PST
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