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.
Thanks
francesco pietra
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Received on Wed Dec 19 2007 - 06:07:28 PST
