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Commit 32d2d090 authored by David W. Wright's avatar David W. Wright
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Correctly format the filenames just added

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1 merge request!13Tutorial clarifications
...@@ -12,7 +12,7 @@ Atomistic Simulation ...@@ -12,7 +12,7 @@ Atomistic Simulation
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The reference simulation for the parametrisation of atenolol was performed using the GROMOS 54A7 united atom forcefield with a topology from the `ATB database <https://atb.uq.edu.au/molecule.py?molid=23433>`_. The reference simulation for the parametrisation of atenolol was performed using the GROMOS 54A7 united atom forcefield with a topology from the `ATB database <https://atb.uq.edu.au/molecule.py?molid=23433>`_.
A single molecule of atenolol was solvated and equilibrated, before collecting a 50 ns trajectory using the GROMACS molecular dynamics simulator. A single molecule of atenolol was solvated and equilibrated, before collecting a 50 ns trajectory using the GROMACS molecular dynamics simulator.
A reduced copy of this trajectory is provided in the tutorial files (as ref.xtc, ref.gro contains the initial structure) since the original is prohibitively large. A reduced copy of this trajectory is provided in the tutorial files (as ``ref.xtc``, ``ref.gro`` contains the initial structure) since the original is prohibitively large.
Mapping Design Mapping Design
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