Yes, this is possible. Please follow this link
http://www.amber.utah.edu/AMBER-workshop/London-2015/Cluster/
And also read the paper by Shao et al
http://pubs.acs.org/doi/abs/10.1021/ct700119m?journalCode=jctcce .
They have explained all you need to know.
Best Regards
Elvis Martis
Ph.D. Student (Computational Chemistry)
at Bombay College of Pharmacy
A Kalina, Santacruz [E], Mumbai 400098, INDIA
W www.elvismartis.in
Skype. adrian_elvis12
-----Original Message-----
From: Mary Varughese [mailto:maryvj1985.gmail.com]
Sent: Thursday, January 05, 2017 4:30 PM
To: AMBER Mailing List <amber.ambermd.org>
Subject: [AMBER] cpptraj clustering doubt
Sir
in combined clustering, could i compare more than two trajectories? If so is there any difference in the command option split ..Frameno...
Also in split_summary.dat is there any useful information.
how could i infer the convergence of the trajectory DBI , pSF
Please give me some idea
Thanking you
mary varughese
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Received on Thu Jan 05 2017 - 04:00:03 PST
