Jackson Crowley

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Protocols

These are guides or how-tos which I’ve written on particular technical problems I’ve faced.

3 items under this folder.

  • 2025 03

    Stabilising structures in GROMACS: some tips

    • molecular-dynamics
    • gromacs
  • 2024 08

    Going from a SMILES string to QM dihedral scan

    • psi4
  • 2024 07

    How to Use Flat-Bottomed Potentials in GROMACS

    • molecular-dynamics
    • gromacs