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CHEM-E4115 - Computational Chemistry I D, Lecture, 26.2.2024-3.5.2024

This course space end date is set to 03.05.2024   Search Courses: CHEM-E4115

Syllabus
  1. Home
  2. Courses
  3. School of Chemical Engineering
  4. Department of Chemistry and Materials Science
  5. CHEM-E4115 - Computational Chemistry I D, Lecture, 26.2.2024-3.5.2024
  6. Sections
  7. Assignments
  8. Molecular modelling: Molecular Dynamics assignment

Molecular modelling: Molecular Dynamics assignment

Completion requirements
Due: Monday, 13 May 2024, 11:59 PM

Choose one of the two MD assignments (pdfs) in this folder. One assignment is about characterizing lipid bilayer structure and the other one involves designing and testing a setup to compare classical water models. For the lipid bilayer assignment, files are given. The water model assignment does not come with any files.


  • dppc-128-100.gro dppc-128-100.gro
    11 February 2024, 7:27 PM
  • lipidbilayerfiles.tar.gz lipidbilayerfiles.tar.gz
    11 February 2024, 7:27 PM
  • MDassignment2024bilayer.pdf MDassignment2024bilayer.pdf
    23 February 2024, 3:16 PM
  • MDassignment2024watermodels.pdf MDassignment2024watermodels.pdf
    23 February 2024, 3:16 PM
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◄ Molecular Modelling Essay
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Monte Carlo assignment ►
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