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  1. Setup_CYP-membrane_CG_simulation_Gromacs Setup_CYP-membrane_CG_simulation_Gromacs Public

    Bash script to set-up and Run the CYP-membrane Coarse-grain MD simualtion using Martini FF and Gromacs Software

    Python 1 2

  2. Calculate_LIPID_parameters_using_Voronoi_Method Calculate_LIPID_parameters_using_Voronoi_Method Public

    Python Script to Calculate LIPID parameters using Voronoi tessellation and Monte Carlo integration methods.

    Python 1

  3. planet planet Public

    Sample example

  4. MMPBSA-OutPut-File-Parser MMPBSA-OutPut-File-Parser Public

    Forked from mktumbi/MMPBSA-OutPut-File-Parser

    This Programme will help the scientific community using MMPBSA.py or MMPBSA.MPI scripts from AmberTools Package to extract energy values from output (*.dat) file.

    Python

  5. FInd_Surrounding_Residues FInd_Surrounding_Residues Public

    Python Script to find the surrounding residues around "selection" throughout MD simulation trajectory

    Python

  6. Find_centrosymmetry_of_potential_in_GRIDS Find_centrosymmetry_of_potential_in_GRIDS Public

    Python Script to estimate centrosymmetry of potential in Debye–Hückel potential sphere in GRID files

    Python