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  1. shweta-Moni.github.io shweta-Moni.github.io Public

    JavaScript

  2. gromacs_replicate_traj_analysis gromacs_replicate_traj_analysis Public

    **Description:** A system with 5 replicates analyzed using GROMACS. This folder contains scripts to concatenate and analyze trajectories for each replicate, followed by plotting all replicates toge…

    Jupyter Notebook

  3. free_energy_landscape_FEL_gromacs free_energy_landscape_FEL_gromacs Public

    Calculate and visualize the Free Energy Landscape (FEL) against Root Mean Square Deviation (RMSD) and Radius of Gyration (Rg) from molecular dynamics trajectories from GROMACS

    Python

  4. dccm_from_gromacs_pdbs dccm_from_gromacs_pdbs Public

    This pipeline calculatesDCCM from GROMACS trajectories to analyze correlated motions between residues. Developed by Prof. Abhijit Mitra's group (IIIT Hyderabad), it uses C for numerical computation…

  5. stanalyzer stanalyzer Public

    Forked from nk53/stanalyzer

    JavaScript