tonigi / vmd_extensionsLinks
Convenience functions for VMD-TCL scripting
☆14Updated 5 months ago
Alternatives and similar repositories for vmd_extensions
Users that are interested in vmd_extensions are comparing it to the libraries listed below
Sorting:
- ☆9Updated 5 years ago
- Examples of applications of pymbar to various problems in simulation and experiment☆21Updated 10 years ago
- Several QM/MM tutorials for biological simulations adapted to CP2K. Tutorials adapted from AMBER, GMX, NAMD and CPMD softwares.☆22Updated 5 years ago
- ☆12Updated 4 months ago
- Implementing OPLS-AA/M Force field in OpenMM from CHARMM formatted parameter files☆12Updated 9 years ago
- Multiscale Simulation Tool for Backmapping☆17Updated 2 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 11 months ago
- Gromacs Implementation of OPLS-AAM Force field☆14Updated 6 years ago
- Absolute solvation free energy calculations with OpenFF and OpenMM☆22Updated 6 months ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆21Updated 3 months ago
- A command line application to launch molecular dynamics simulations with OpenMM☆40Updated 3 years ago
- ☆11Updated 11 months ago
- OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field☆24Updated 5 years ago
- scripts for analyzing molecular dynamics trajectories using VMD☆38Updated 10 years ago
- Accelerating Metadynamics-Based Free-Energy Calculations with Adaptive Machine Learning Potentials☆15Updated 3 years ago
- Real time monitoring and visualization of Amber MD simulations☆15Updated 5 years ago
- Enhanced sampling methods for molecular dynamics simulations☆36Updated 2 years ago
- Fast PBC wrapping and unwrapping for VMD☆23Updated 6 months ago
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆36Updated 2 weeks ago
- Gromacs topology template generator☆15Updated 3 years ago
- Advanced toolkit for binding free energy calculations☆32Updated 5 months ago
- Robust Equilibration Detection☆22Updated last month
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆29Updated last year
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆12Updated last year
- Temperature generator for Replica Exchange MD simulations☆28Updated 2 years ago
- Restraintmaker is a tool intended to build Position or Distance restraints for Molecular Dynamics simulations (or any other simulation te…☆18Updated 2 years ago
- Spectral Gap Optimization of Parameters☆18Updated 5 years ago
- Q6 Repository -- EVB, FEP and LIE simulator.☆31Updated last year
- A Package for Parametrization of Molecular Mechanics Force Fields☆32Updated 2 years ago
- RESP with inter- and intra-molecular constraints in Psi4.☆31Updated 2 years ago