|
About the Third party tools and files category
|
|
0
|
954
|
September 15, 2020
|
|
Newest CHARMM36 port for GROMACS
|
|
39
|
23634
|
March 5, 2026
|
|
LAMMPS TO GROMACS
|
|
0
|
30
|
February 18, 2026
|
|
gmx_MMPBSA: a new tool aiming to perform end-state free energy calculations with GROMACS files
|
|
2
|
2115
|
January 14, 2026
|
|
Supporting CIF Format in GROMACS
|
|
3
|
1527
|
November 13, 2025
|
|
x2top for MINFF
|
|
0
|
70
|
October 2, 2025
|
|
gmx_ffconv: A Fast, User-Friendly Semi-Automated All-Atom Force Field Converter for GROMACS
|
|
0
|
155
|
September 21, 2025
|
|
gmx_clusterByFeatures - Features-based conformational clustering from MD Simulations
|
|
0
|
79
|
July 7, 2025
|
|
g_mmpbsa update for latest GROMACS
|
|
0
|
162
|
June 4, 2025
|
|
gorder: Comprehensive tool for calculating lipid order parameters from molecular simulations
|
|
0
|
76
|
May 12, 2025
|
|
Online server for MINFF and CLAYFF topologies
|
|
0
|
110
|
April 10, 2025
|
|
MINFF: a new family of forcefields for minerals
|
|
0
|
178
|
December 5, 2024
|
|
dRama: Differential Ramachandran Plot as a Tool to Analyze Subtle Changes in Protein Structure
|
|
0
|
233
|
November 26, 2024
|
|
amber14sb_OL15.ff correction in Dihedrals
|
|
2
|
1182
|
April 25, 2024
|
|
GenTopo: A python tool kit for generating gromacs topology template
|
|
1
|
2296
|
April 4, 2024
|
|
PolySMart: a general coarse-grained molecular dynamics polymerization scheme
|
|
0
|
439
|
February 21, 2024
|
|
Visual Interactive Analysis of Molecular Dynamics (VIAMD)
|
|
0
|
913
|
December 5, 2023
|
|
Atom: a MATLAB library for creating discrete or periodic systems and topologies (for Gromacs)
|
|
1
|
737
|
November 12, 2023
|
|
polyGraft: A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanos
|
|
0
|
379
|
August 27, 2023
|
|
ComplexMixtures.jl: Investigating the structure of solutions of complex-shaped molecules
|
|
1
|
507
|
June 22, 2023
|
|
Adding an extra input for electric field in mdp files
|
|
0
|
886
|
May 29, 2023
|
|
Announcing gmxapi 0.2 Python package
|
|
7
|
1067
|
March 10, 2023
|
|
FixBox: a tool to fix broken systems due to PBCs
|
|
0
|
625
|
December 30, 2022
|
|
Making densities (multimers/aggregates/objects) whole over PBC
|
|
0
|
713
|
February 9, 2022
|
|
GROMACS implementation of the AMBER99SB-UCB force field
|
|
0
|
871
|
July 9, 2021
|
|
GMXRC for the Fish shell
|
|
0
|
860
|
September 27, 2021
|
|
QM/MM with xtb and Turbomole
|
|
0
|
1308
|
May 27, 2021
|
|
Software for running NMR refinement in GROMACS
|
|
0
|
1235
|
March 29, 2021
|
|
GADDLE Maps, mapping Coarse Grained systems to Fully Atomistic
|
|
0
|
873
|
March 8, 2021
|
|
Gromologist: a tool for Gromacs topology manipulation
|
|
0
|
1500
|
December 31, 2020
|