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About the Third party tools and files category
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0
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973
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September 15, 2020
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New atomipy online molecular builder for inorganic/geochemical based systems
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0
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20
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April 26, 2026
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`opc.gro` available on GitHub
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1
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63
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April 13, 2026
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Align_vector_to_box_axis.py - A Python script to align a protein to one of the three axes
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0
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16
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April 1, 2026
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plotXVG: Batch Generation of Publication-Quality Graphs from GROMACS Output
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0
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56
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March 30, 2026
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Newest CHARMM36 port for GROMACS
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39
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24698
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March 5, 2026
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LAMMPS TO GROMACS
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0
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120
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February 18, 2026
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gmx_MMPBSA: a new tool aiming to perform end-state free energy calculations with GROMACS files
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2
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2241
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January 14, 2026
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Supporting CIF Format in GROMACS
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3
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1605
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November 13, 2025
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x2top for MINFF
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0
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82
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October 2, 2025
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gmx_ffconv: A Fast, User-Friendly Semi-Automated All-Atom Force Field Converter for GROMACS
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0
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180
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September 21, 2025
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gmx_clusterByFeatures - Features-based conformational clustering from MD Simulations
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0
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89
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July 7, 2025
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g_mmpbsa update for latest GROMACS
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0
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190
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June 4, 2025
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gorder: Comprehensive tool for calculating lipid order parameters from molecular simulations
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0
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94
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May 12, 2025
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Online server for MINFF and CLAYFF topologies
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0
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123
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April 10, 2025
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MINFF: a new family of forcefields for minerals
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0
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205
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December 5, 2024
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dRama: Differential Ramachandran Plot as a Tool to Analyze Subtle Changes in Protein Structure
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0
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259
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November 26, 2024
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amber14sb_OL15.ff correction in Dihedrals
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2
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1208
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April 25, 2024
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GenTopo: A python tool kit for generating gromacs topology template
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1
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2319
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April 4, 2024
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PolySMart: a general coarse-grained molecular dynamics polymerization scheme
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0
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459
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February 21, 2024
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Visual Interactive Analysis of Molecular Dynamics (VIAMD)
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0
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936
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December 5, 2023
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Atom: a MATLAB library for creating discrete or periodic systems and topologies (for Gromacs)
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1
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751
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November 12, 2023
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polyGraft: A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanos
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0
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389
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August 27, 2023
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ComplexMixtures.jl: Investigating the structure of solutions of complex-shaped molecules
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1
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522
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June 22, 2023
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Adding an extra input for electric field in mdp files
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0
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910
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May 29, 2023
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Announcing gmxapi 0.2 Python package
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7
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1090
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March 10, 2023
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FixBox: a tool to fix broken systems due to PBCs
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0
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628
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December 30, 2022
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Making densities (multimers/aggregates/objects) whole over PBC
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0
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726
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February 9, 2022
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GROMACS implementation of the AMBER99SB-UCB force field
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0
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882
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July 9, 2021
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GMXRC for the Fish shell
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0
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875
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September 27, 2021
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