see
http://www.chpc.utah.edu/~cheatham/ptraj.html
the script i use is:
trajin trajfile
2drms out 2drmsd.dat raw mass
Then i do some more processing to get it into gnuplot friendly
format. then i use gnuplot to visualize. i believe there are other
posts about visualization options in the list archives.
--Niel
________________________________________
From: Beale, John [John.Beale.stlcop.edu]
Sent: Thursday, June 10, 2010 8:40 AM
To: AMBER Mailing List
Subject: [AMBER] 2drms
I am interested in using the 2drms function in ptraj, but there are no
references to this in the manuals or on the web. Would someone please
post a sample ptraj script that makes use of this function so that I can
see how to set it up?
Thanks!
John
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Received on Thu Jun 10 2010 - 08:30:04 PDT
