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@Molecular-Simulation-Lab-UV Molecular Simulations Lab - UV

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    6 repositories

    • NAMDAnalisisScripts

      Public
      Scripts used for analysis of various systems and the pertaining variables or reaction coordinates
      pythonanalysistclnamdtrajectories
      Python
      •
      GNU General Public License v3.0
      •4•1•0•0•Updated Nov 27, 2024Nov 27, 2024

    • autexti

      Public
      Automated Extended Thermodynamic Integration script for the GROMOS simulation package
      Julia
      •
      GNU General Public License v3.0
      •0•1•0•0•Updated Aug 14, 2024Aug 14, 2024

    • graphene_adsorption

      Public
      Paper regarding adsorption of amino acids onto graphene-
      Portugol
      •0•0•0•0•Updated Mar 15, 2023Mar 15, 2023

    • .github

      Public
      0•0•0•0•Updated Jun 23, 2022Jun 23, 2022

    • wham.jl

      Public
      Implementation of the Weighted Histogram Analysis Method (WHAM) in Julia
      GNU General Public License v3.0
      •0•0•0•0•Updated May 9, 2022May 9, 2022

    • Molecular-Simulation-Lab-UV.github.io

      Public
      HTML
      •1•0•0•0•Updated Jan 4, 2022Jan 4, 2022