marrink-lab / martini-forcefieldsLinks
Collection of interaction and molecule parameters for the Martini3 force-field
☆17Updated 2 years ago
Alternatives and similar repositories for martini-forcefields
Users that are interested in martini-forcefields are comparing it to the libraries listed below
Sorting:
- ☆56Updated 2 years ago
- Random Acceleration Molecular Dynamics in GROMACS☆38Updated last year
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆61Updated last year
- Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..☆48Updated 4 years ago
- Sample inputs and tutorial for GROMACS-2022/CP2K QMMM interface☆35Updated 3 years ago
- The public versio☆61Updated 2 years ago
- A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.☆72Updated 2 years ago
- MDANCE is a flexible n-ary clustering package for all applications.☆69Updated last month
- OpenMM plugin to interface with PLUMED☆68Updated 5 months ago
- The official repository of Uni-pKa☆65Updated 4 months ago
- Workshop teaching QMMM using Amber☆65Updated this week
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆83Updated 3 weeks ago
- A Tutorial for quasi Markov State Model(qMSM) developed by Huang Group, Dept of Chemistry at UW-Madison☆18Updated 2 years ago
- ☆65Updated 2 weeks ago
- An OpenMM plugin that implements the Alchemical Transfer Potential☆40Updated 2 years ago
- A fast solver for large scale MBAR/UWHAM equations☆39Updated 11 months ago
- ☆22Updated last month
- Tutorial on the setup and simulation of a membrane protein with AMBER Lipid21 and PACKMOL-Memgen☆66Updated 2 years ago
- Density based object completion over PBC.☆30Updated 8 months ago
- ☆37Updated 11 months ago
- Force Fields☆64Updated 6 months ago
- Python code for generating Boresch restraints from MD simulations☆22Updated 3 years ago
- GridMAT-MD membrane analysis program☆25Updated 6 years ago
- ☆67Updated 2 years ago
- PARENT: a parallel software suite for the calculation of configurational entropy in biomolecular systems☆15Updated 3 years ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆65Updated last year
- Tutorial to run AMBER umbrella COM restraint code and derive free energy of transfer profile for methanol through DMPC membrane☆37Updated 2 years ago
- Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)☆32Updated last year
- Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE)☆43Updated 5 years ago
- ☆15Updated 3 years ago