AMBER Archive (2007)

Subject: AMBER: Scripts for md analysis

From: Francesco Pietra (chiendarret_at_yahoo.com)
Date: Tue Dec 18 2007 - 05:05:24 CST


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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