Hi Ram,
The ptraj source code is provided - you can download Ambertools for free
(see
http://www.ambermd.org/) and this includes the ptraj module.
Good luck,
Ross
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
rams rams
Sent: Monday, June 16, 2008 7:28 PM
To: amber.scripps.edu
Subject: AMBER: program to calculate rmsd
Hi,
Are there any programs (source code) available to calculate the rms
deviations ? Though ptraj does the job for me, I would like to look at what
actually the ptraj is doing while calculating the rms deviations ?
Thankyou very much.
Ram.
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Received on Wed Jun 18 2008 - 06:07:42 PDT
