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Commit c51479c1 authored by David W. Wright's avatar David W. Wright
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Specify the selections needed in gmx gyrate

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1 merge request!13Tutorial clarifications
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...@@ -138,6 +138,7 @@ This may be performed using the standard GROMACS too `gmx gyrate`:: ...@@ -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 ref.xtc -s ref-for-rgyr.tpr -o ref-gyr.xvg
gmx gyrate -f md.xtc -s md.tpr -o cg-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. 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:: 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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