Issues

• Huge tiime-consuming at pair.superimpose

  UCL-CCS/TIES#332 · Filter by author ytworks opened on Feb 22, 2024

• Stereoisomerism

  UCL-CCS/TIES#331 · Filter by author AlexW12344 opened on Oct 31, 2023
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• TIES with OpenMM

  UCL-CCS/TIES#328 · Filter by author Oulfin opened on Aug 30, 2023
  3

• Odd topology with CDK2 l20-l21

  UCL-CCS/TIES#324 · Filter by author adw62 opened on Jun 13, 2023
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• Examples of Protein residue mutation?

  UCL-CCS/TIES#316 · Filter by author aminsagar opened on Oct 28, 2022
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• Add TIES_MD tests.

  UCL-CCS/TIES#310 · Filter by author adw62 opened on Aug 9, 2022
  

• ties20 - ties_md code duplication

  UCL-CCS/TIES#285 · Filter by author bieniekmateusz opened on Sep 14, 2021
  

• Use dihedral angles to distinguish between different stereochemistry

  UCL-CCS/TIES#283 · Filter by author bieniekmateusz opened on Jul 16, 2021
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