Simply do it in terminal:
<<ptraj file.prmtop <<EOF
<<trajin file.mdcrd
<<radgyr out output_filename.dat :mask residue
<<EOF
--- On Mon, 2/2/09, Beale, John <jbeale.stlcop.edu> wrote:
From: Beale, John <jbeale.stlcop.edu>
Subject: [AMBER] Radius of Gyration
To: amber.ambermd.org
Date: Monday, 2 February, 2009, 11:04 PM
Can someone please tell me what is the equation to compute radius of
gyration that is used in the "radgyr" function of ptraj?
John
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Received on Wed Feb 04 2009 - 01:37:40 PST
