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jimboid merged 1 commit into from
Jul 1, 2026
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Update link for CCP-BioSim in tutorial #43

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2 changes: 1 addition & 1 deletion Cluster Analysis.ipynb
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Expand Up @@ -6,7 +6,7 @@
"source": [
"# Cluster Analysis of Molecular Dynamics Trajectory Data\n",
"\n",
"*A tutorial/workshop created by [Charlie Laughton](mailto:charles.laughton@nottingham.ac.uk) for [CCP-BioSim](http://www.ccpbiosim.ac.uk)*\n",
"*A tutorial/workshop created by [Charlie Laughton](mailto:charles.laughton@nottingham.ac.uk) for [CCP-BioSim](http://www.ccpbiosim.org)*\n",
"\n",
"### Introduction\n",
"By the \"jumping amongst minima\" model of MD dynamics, we expect large ensembles/long trajectories to show clustering in conformational space. Cluster centres correspond to local minima conformations, and the sizes and shapes of the clusters tell us about the shape of the free energy surface.\n",
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