BioSIM-Research-Group / vmdStoreLinks
The App Store for VMD extensions.
☆13Updated 2 years ago
Alternatives and similar repositories for vmdStore
Users that are interested in vmdStore are comparing it to the libraries listed below
Sorting:
- scripts for analyzing molecular dynamics trajectories using VMD☆39Updated 10 years ago
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆30Updated 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
- Package for reading, analysis and visualization of metadynamics HILLS☆38Updated 2 years ago
- A Package for Parametrization of Molecular Mechanics Force Fields☆32Updated 3 years ago
- Several QM/MM tutorials for biological simulations adapted to CP2K. Tutorials adapted from AMBER, GMX, NAMD and CPMD softwares.☆24Updated 6 years ago
- Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents☆31Updated 3 years ago
- Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package☆34Updated last month
- 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
- A. Alenaizan's restricted electrostatic potential (RESP) plugin to Psi4☆34Updated 6 months ago
- A command line application to launch molecular dynamics simulations with OpenMM☆40Updated 3 years ago
- Main code repository for the PLUMED-GUI plugin for VMD☆17Updated 8 months ago
- Q6 Repository -- EVB, FEP and LIE simulator.☆35Updated 2 years ago
- Martini 3 small molecule database☆68Updated 2 months ago
- Calculation of water/solvent partition coefficients with Gromacs.☆28Updated last year
- Advanced toolkit for binding free energy calculations☆33Updated 3 months ago
- Examples of applications of pymbar to various problems in simulation and experiment☆23Updated 10 years ago
- Program for revealing non-covalent interactions☆34Updated 3 years ago
- RESP with inter- and intra-molecular constraints in Psi4.☆32Updated 2 years ago
- Gromacs Implementation of OPLS-AAM Force field☆14Updated 7 years ago
- Tutorial to run AMBER umbrella COM restraint code and derive free energy of transfer profile for methanol through DMPC membrane☆39Updated 2 years ago
- Set up relative free energy calculations using a common scaffold☆24Updated 4 months ago
- In-house tools for setting up arbitrary solute-solvent mixtures for simulation in GROMACS, Amber, OpenMM or other codes☆33Updated 5 years ago
- Python library for adaptive QM/MM methods☆28Updated 5 years ago
- Poltype 2: Automated Parameterization for AMOEBA☆51Updated last month
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆15Updated 6 years ago
- A repository for tutorials and FAQ's about LigParGen☆24Updated 7 years ago
- Adaptive string method implementation in AmberTools23 and Amber22☆13Updated 11 months ago
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆71Updated last month
- OpenMM plugin to interface with PLUMED☆72Updated last month