|
About the Third party tools and files category
|
|
0
|
979
|
September 15, 2020
|
|
New atomipy online molecular builder for inorganic/geochemical based systems
|
|
0
|
36
|
April 26, 2026
|
|
`opc.gro` available on GitHub
|
|
1
|
117
|
April 13, 2026
|
|
Align_vector_to_box_axis.py - A Python script to align a protein to one of the three axes
|
|
0
|
18
|
April 1, 2026
|
|
plotXVG: Batch Generation of Publication-Quality Graphs from GROMACS Output
|
|
0
|
74
|
March 30, 2026
|
|
Newest CHARMM36 port for GROMACS
|
|
39
|
25317
|
March 5, 2026
|
|
LAMMPS TO GROMACS
|
|
0
|
152
|
February 18, 2026
|
|
gmx_MMPBSA: a new tool aiming to perform end-state free energy calculations with GROMACS files
|
|
2
|
2275
|
January 14, 2026
|
|
Supporting CIF Format in GROMACS
|
|
3
|
1642
|
November 13, 2025
|
|
x2top for MINFF
|
|
0
|
89
|
October 2, 2025
|
|
gmx_ffconv: A Fast, User-Friendly Semi-Automated All-Atom Force Field Converter for GROMACS
|
|
0
|
186
|
September 21, 2025
|
|
gmx_clusterByFeatures - Features-based conformational clustering from MD Simulations
|
|
0
|
96
|
July 7, 2025
|
|
g_mmpbsa update for latest GROMACS
|
|
0
|
203
|
June 4, 2025
|
|
gorder: Comprehensive tool for calculating lipid order parameters from molecular simulations
|
|
0
|
105
|
May 12, 2025
|
|
Online server for MINFF and CLAYFF topologies
|
|
0
|
129
|
April 10, 2025
|
|
MINFF: a new family of forcefields for minerals
|
|
0
|
224
|
December 5, 2024
|
|
dRama: Differential Ramachandran Plot as a Tool to Analyze Subtle Changes in Protein Structure
|
|
0
|
284
|
November 26, 2024
|
|
amber14sb_OL15.ff correction in Dihedrals
|
|
2
|
1221
|
April 25, 2024
|
|
GenTopo: A python tool kit for generating gromacs topology template
|
|
1
|
2330
|
April 4, 2024
|
|
PolySMart: a general coarse-grained molecular dynamics polymerization scheme
|
|
0
|
472
|
February 21, 2024
|
|
Visual Interactive Analysis of Molecular Dynamics (VIAMD)
|
|
0
|
940
|
December 5, 2023
|
|
Atom: a MATLAB library for creating discrete or periodic systems and topologies (for Gromacs)
|
|
1
|
754
|
November 12, 2023
|
|
polyGraft: A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanos
|
|
0
|
393
|
August 27, 2023
|
|
ComplexMixtures.jl: Investigating the structure of solutions of complex-shaped molecules
|
|
1
|
526
|
June 22, 2023
|
|
Adding an extra input for electric field in mdp files
|
|
0
|
914
|
May 29, 2023
|
|
Announcing gmxapi 0.2 Python package
|
|
7
|
1091
|
March 10, 2023
|
|
FixBox: a tool to fix broken systems due to PBCs
|
|
0
|
631
|
December 30, 2022
|
|
Making densities (multimers/aggregates/objects) whole over PBC
|
|
0
|
731
|
February 9, 2022
|
|
GROMACS implementation of the AMBER99SB-UCB force field
|
|
0
|
886
|
July 9, 2021
|
|
GMXRC for the Fish shell
|
|
0
|
879
|
September 27, 2021
|