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James Graham
pycgtool
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9ad05528
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9ad05528
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8 years ago
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James Graham
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Fix typo
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@@ -138,7 +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 t
e
h calculation.
In both cases select the 36KB group as the one on which to perform th
e
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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