About the Third party tools and files category
|
|
0
|
847
|
September 15, 2020
|
Newest CHARMM36 port for GROMACS
|
|
38
|
15284
|
September 5, 2024
|
amber14sb_OL15.ff correction in Dihedrals
|
|
2
|
873
|
April 25, 2024
|
GenTopo: A python tool kit for generating gromacs topology template
|
|
1
|
1934
|
April 4, 2024
|
PolySMart: a general coarse-grained molecular dynamics polymerization scheme
|
|
0
|
299
|
February 21, 2024
|
Visual Interactive Analysis of Molecular Dynamics (VIAMD)
|
|
0
|
701
|
December 5, 2023
|
Atom: a MATLAB library for creating discrete or periodic systems and topologies (for Gromacs)
|
|
1
|
668
|
November 12, 2023
|
Supporting CIF Format in GROMACS
|
|
2
|
794
|
October 7, 2023
|
polyGraft: A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanos
|
|
0
|
297
|
August 27, 2023
|
ComplexMixtures.jl: Investigating the structure of solutions of complex-shaped molecules
|
|
1
|
469
|
June 22, 2023
|
Adding an extra input for electric field in mdp files
|
|
0
|
699
|
May 29, 2023
|
Announcing gmxapi 0.2 Python package
|
|
7
|
1017
|
March 10, 2023
|
FixBox: a tool to fix broken systems due to PBCs
|
|
0
|
576
|
December 30, 2022
|
Making densities (multimers/aggregates/objects) whole over PBC
|
|
0
|
643
|
February 9, 2022
|
GROMACS implementation of the AMBER99SB-UCB force field
|
|
0
|
798
|
July 9, 2021
|
GMXRC for the Fish shell
|
|
0
|
811
|
September 27, 2021
|
gmx_MMPBSA: a new tool aiming to perform end-state free energy calculations with GROMACS files
|
|
0
|
1855
|
June 10, 2021
|
QM/MM with xtb and Turbomole
|
|
0
|
1141
|
May 27, 2021
|
Software for running NMR refinement in GROMACS
|
|
0
|
1166
|
March 29, 2021
|
GADDLE Maps, mapping Coarse Grained systems to Fully Atomistic
|
|
0
|
841
|
March 8, 2021
|
Gromologist: a tool for Gromacs topology manipulation
|
|
0
|
1235
|
December 31, 2020
|
sol_remover
|
|
0
|
863
|
October 5, 2020
|
Welcome to third party forum
|
|
6
|
1927
|
March 9, 2021
|