Hi
I was wondering if you can align your structure by e.g. c-alphas and
then cluster by the rmsd of a ligand using the ptraj cluster command?
Or are you forced to use the same selection for alignment and
clustering?
Thank you in advance.
/Katrine Skeby
PhD-student
Biomodelling Group
Department of Chemistry
Aarhus University
Office 1510-421
Tlf. +45 5073 4985
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jun 22 2011 - 04:30:05 PDT
