Re: [AMBER] cpptraj clustering doubt

From: Elvis Martis <>
Date: Thu, 5 Jan 2017 11:41:22 +0000

Yes, this is possible. Please follow this link
And also read the paper by Shao et al .
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
Skype. adrian_elvis12

-----Original Message-----
From: Mary Varughese []
Sent: Thursday, January 05, 2017 4:30 PM
To: AMBER Mailing List <>
Subject: [AMBER] cpptraj clustering doubt


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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