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    7 repositories

    • toppar_c36_releases

      Public
      Rich Text Format
      •0•0•0•0•Updated Feb 7, 2025Feb 7, 2025

    • gamd_livecoms_tutorial

      Public
      TeX
      •0•2•0•0•Updated Jan 31, 2025Jan 31, 2025

    • cgenff_charmm2gmx

      Public
      Python scripts to convert CGenFF stream files to GROMACS format
      Python
      •
      MIT License
      •4•27•3•0•Updated Dec 17, 2024Dec 17, 2024

    • gmx_tutorials_jpcb

      Public
      Input files for GROMACS tutorials written for the Journal of Physical Chemistry B
      Raku
      •
      MIT License
      •3•17•1•0•Updated Jul 21, 2024Jul 21, 2024

    • gamd-openmm-charmm-drude

      Public
      Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calculations of biomolecules. It works by adding a harmonic boost potential to smooth the potential energy surface and reduce system energy barriers. http://miao.compbio.ku.edu/GaMD/
      Python
      •
      MIT License
      •22•1•0•0•Updated Apr 3, 2023Apr 3, 2023

    • .github

      Public
      0•1•0•0•Updated Mar 19, 2023Mar 19, 2023

    • tupa

      Public
      TUPÃ was developed to analyze electric field properties in molecular simulations
      Python
      •
      GNU General Public License v3.0
      •6•0•0•0•Updated Jan 31, 2023Jan 31, 2023