Martini-Force-Field-Initiative / BartenderLinks
Automated bonded parameters for Martini 3
☆25Updated 4 months ago
Alternatives and similar repositories for Bartender
Users that are interested in Bartender are comparing it to the libraries listed below
Sorting:
- ☆25Updated 5 months ago
- Tools for coarse-grained molecular dynamics simulations using the SPICA force field☆13Updated 8 months ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆23Updated 2 weeks ago
- ☆28Updated last year
- A Package for Parametrization of Molecular Mechanics Force Fields☆32Updated 3 years ago
- Examples of applications of pymbar to various problems in simulation and experiment☆23Updated 10 years ago
- PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package☆31Updated last year
- Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations☆31Updated last year
- Gromacs Implementation of OPLS-AAM Force field☆14Updated 7 years ago
- Temperature generator for Replica Exchange MD simulations☆29Updated 3 years ago
- Code to support the paper: P. van Gerwen, K. R. Briling, C. Bunne, V. R. Somnath, R. Laplaza, A. Krause, C. Corminboeuf, "3DReact: Geomet…☆23Updated last month
- Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.☆11Updated 8 years ago
- ☆14Updated last year
- Absolute solvation free energy calculations with OpenFF and OpenMM☆25Updated last year
- This package is meant to calculate the dihedral entropy of a biomolecule. However, it can also calculate the entropy of any binnable dat…☆23Updated last year
- Development of High-Throughput Polymer Network Atomistic Simulation☆25Updated last year
- Scripts, inputs and the results generated as part of the training the Sage line of OpenFF force fields.☆21Updated 5 months ago
- MM and QM/MM setup for a metalloprotein using GROMACS, Chemshell and ORCA (Using the CHARMM forcefield (both in GROMACS and with Chemshe…☆23Updated last year
- Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Groma…☆35Updated 7 years ago
- Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package☆34Updated 2 weeks ago
- python API for rowan☆13Updated last week
- Set of tools to generate a multi-eGO force field to perform molecular dynamics simulations☆14Updated 2 weeks ago
- Package for reading, analysis and visualization of metadynamics HILLS☆38Updated 2 years ago
- ☆31Updated 2 years ago
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆42Updated 2 weeks ago
- ☆22Updated 5 months ago
- This pipeline is executing a RE-EDS run for relative free energy calculations. It can be used for example for calculation of hydration fr…☆32Updated 6 months ago
- Build coarse-grained mapping for molecules from a web-GUI☆15Updated 4 years ago
- scripts for analyzing molecular dynamics trajectories using VMD☆39Updated 10 years ago
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆45Updated last month