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 last year
- ☆25Updated 4 years ago
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆65Updated last year
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆65Updated last month
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆67Updated 4 years ago
- Analysis of non-covalent interactions in MD trajectories☆65Updated last year
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆75Updated last year
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Updated 2 years ago
- Density based object completion over PBC.☆30Updated last year
- User Guide for MDAnalysis☆29Updated this week
- scripts for analyzing molecular dynamics trajectories using VMD☆39Updated 10 years ago
- A command line application to launch molecular dynamics simulations with OpenMM☆40Updated 3 years ago
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆30Updated last year
- Q6 Repository -- EVB, FEP and LIE simulator.☆35Updated 2 years ago
- ☆41Updated last year
- Tutorial to run AMBER umbrella COM restraint code and derive free energy of transfer profile for methanol through DMPC membrane☆39Updated 2 years ago
- Advanced toolkit for binding free energy calculations☆34Updated 4 months ago
- A Python toolkit for the analyis of lipid membrane simulations☆32Updated 2 months ago
- Solvation Structure and Thermodynamic Mapping☆41Updated last month
- easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…☆31Updated last week
- Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.☆39Updated 3 years ago
- OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field☆27Updated 5 years ago
- Scripts for PCA and related analyses of lipid motions☆10Updated 3 years ago
- The MDAnalysis Toolkits Registry☆19Updated last week
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆42Updated last month
- Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations☆20Updated 7 years ago
- Set up relative free energy calculations using a common scaffold☆24Updated 5 months ago
- Package for consistent reporting of relative free energy results☆41Updated this week
- Main code repository for FATSLiM☆23Updated 3 years ago
- MM and QM/MM setup for a metalloprotein using GROMACS, Chemshell and ORCA (Using the CHARMM forcefield (both in GROMACS and with Chemshe…☆24Updated last year