From c51479c108af97648f418cc21437f3b6b0b7991b Mon Sep 17 00:00:00 2001
From: "David W. Wright" <dave.william.wright@gmail.com>
Date: Wed, 4 Jan 2017 12:07:27 +0000
Subject: [PATCH] Specify the selections needed in gmx gyrate
---
doc/source/tutorial.rst | 1 +
1 file changed, 1 insertion(+)
diff --git a/doc/source/tutorial.rst b/doc/source/tutorial.rst
index a1f742c..da90443 100644
--- a/doc/source/tutorial.rst
+++ b/doc/source/tutorial.rst
@@ -138,6 +138,7 @@ This may be performed using the standard GROMACS too `gmx gyrate`::
gmx gyrate -f ref.xtc -s ref-for-rgyr.tpr -o ref-gyr.xvg
gmx gyrate -f md.xtc -s md.tpr -o cg-gyr.xvg
+In both cases select the 36KB group as the one on which to perform teh calculation.
These commands will calculate the radius of gyration for each trajectory frame for both the reference and CG simulations.
The resulting `.xvg` files may be visualised using a graphing program such as `xmgrace` or compared in the same way as the bonded samples, using::
--
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