Training materials
Scientific topics: Computational chemistry
and Contributors: Christopher Barnett or Data Carpentry or Dr. Iain Milne or Dr. Martin Graham or Nicola Soranzo or Prof. Richard Baldock
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hands-on tutorial
High Throughput Molecular Dynamics and Analysis
••• advancedComputational chemistry -
hands-on tutorial
Analysis of molecular dynamics simulations
•• intermediateComputational chemistry -
hands-on tutorial
Running molecular dynamics simulations using NAMD
•• intermediateComputational chemistry -
hands-on tutorial
Setting up molecular systems
•• intermediateComputational chemistry