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Achievement: Arctic Code Vault ContributorAchievement: Pull Sharkx2

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  1. feneb feneb Public

    A tool for performing nudged elastic bands simulations on the free energy surface using Amber .nc files.

    Fortran

  2. VDOS VDOS Public

    This Python script, get_VDOS.py, is designed to calculate the Vibrational Density of States (VDOS) from molecular dynamics trajectory files. It supports different file formats and offers flexibilit…

    Python 6 1

  3. hybrid hybrid Public

    Forked from MALBECC/hybrid

    A code for molecular dynamics simulations and various optimization schemes

    C++

  4. D-clust D-clust Public

    This Python script uses the DADApy library to perform a DPA clustering analisis based on temporal traces of dihedral angles obtained from molecular dynamics trajectory.

    Python