Tsjerk / MartiniToolsLinks
☆19Updated 8 years ago
Alternatives and similar repositories for MartiniTools
Users that are interested in MartiniTools are comparing it to the libraries listed below
Sorting:
- Calculation of water/solvent partition coefficients with Gromacs.☆28Updated 9 months ago
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆61Updated last year
- ☆25Updated 3 years ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆64Updated 2 years ago
- Analysis of non-covalent interactions in MD trajectories☆59Updated 7 months ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆64Updated 4 years ago
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Updated 2 years ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆65Updated last year
- A Python toolkit for the analyis of lipid membrane simulations☆31Updated last week
- Lab policies, training, style guides, etc.☆35Updated last year
- Advanced toolkit for binding free energy calculations☆33Updated last month
- User Guide for MDAnalysis☆28Updated this week
- Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards☆44Updated 3 years ago
- Set up relative free energy calculations using a common scaffold☆24Updated 3 months ago
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆45Updated 11 months ago
- A command line application to launch molecular dynamics simulations with OpenMM☆40Updated 3 years ago
- MDAnalysis Tutorial at the 2015 CECAM Macromolecular simulation software workshop☆12Updated 9 years ago
- Physical validation of molecular simulations☆56Updated last month
- Solvation Structure and Thermodynamic Mapping☆40Updated last year
- A free energy command line tool using alchemlyb☆14Updated 2 years ago
- Restraintmaker is a tool intended to build Position or Distance restraints for Molecular Dynamics simulations (or any other simulation te…☆19Updated 2 years ago
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆40Updated 2 weeks ago
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆29Updated last year
- Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations☆20Updated 7 years ago
- ☆37Updated 11 months ago
- Density based object completion over PBC.☆30Updated 8 months ago
- Package for consistent reporting of relative free energy results☆39Updated last month
- Tutorial to run AMBER umbrella COM restraint code and derive free energy of transfer profile for methanol through DMPC membrane☆37Updated 2 years ago
- Q6 Repository -- EVB, FEP and LIE simulator.☆34Updated last year
- scripts for analyzing molecular dynamics trajectories using VMD☆39Updated 10 years ago