Dear Jagannadh,
both ptraj and carnal can calculate RMSD w.r.t. a reference structure.
I still cannot figure out how to calculate the radius of gyration (had the same question a few days ago).
Robert
-----Original Message-----
From: owner-amber.scripps.edu on behalf of Jagannadh B
Sent: Tue 10/28/2003 4:36 AM
To: amber.scripps.edu
Cc:
Subject: AMBER: Radius of Gyration and RMSD
Dear AMBER- Netters
I am looking for information on comparing two structures especially of
the two methods Radius of Gyration (Moment of Inertia) and RMSD. The
information I am looking for is the criteria to confirm two structures
are indentical or not using these two methods.
Thanking you in advance
Jagannadh
*******************
Dr.B.Jagannadh
Divn of Organic Chemistry III
Indian Institute of Chemical Technology
Hyderabad 500007
INDIA
Phone: +91-40-27193155
Fax +91-40-27160512
email:jagan.iict.ap.nic.in
jagan.iict.res.in
bjbio.yahoo.com
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Oct 28 2003 - 14:53:02 PST
