giorginolab / vmd_density_profile
Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
☆36Updated last year
Alternatives and similar repositories for vmd_density_profile:
Users that are interested in vmd_density_profile are comparing it to the libraries listed below
- Gromacs to Lammps simulation converter☆74Updated last year
- VMD plugin for manipulating topology information☆36Updated 2 months ago
- A TCL code for the calculation of mass/number density of a system.☆16Updated 9 months ago
- ☆27Updated 2 years ago
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆58Updated 7 months ago
- GROMACS input files☆19Updated last year
- ☆62Updated 3 months ago
- ☆42Updated 4 years ago
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 7 years ago
- A GROMACS implementation of the ClayFF force field☆33Updated 2 years ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆24Updated 3 years ago
- Database of hand-built OPLS-AA parameters and topologies for 464 molecules. Zip files contains parameter and topologies for OpenMM, Groma…☆33Updated 6 years ago
- Code and examples to compute IR spectra from normal mode analysis☆13Updated 2 years ago
- CmuMD implementation for PLUMED2☆15Updated last year
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- A python script to prepare GROMACS input files using INTERFACE forcefield☆23Updated 3 years ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆38Updated last week
- Constant potential method in LAMMPS☆49Updated last year
- Convert PDB files to LAMMPS data and force field files.☆18Updated 7 years ago
- Molecular simulation toolkit☆14Updated last month
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- Force field for ionic liquids☆62Updated 7 months ago
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆17Updated 2 years ago
- Running a molecular simulation with the polarizable force field in LAMMPS☆19Updated 2 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆51Updated last year
- A GUI program for plotting Minimal energy path on potential energy surface.☆37Updated 4 years ago
- Examples demonstrating how to reproduce the results in the paper.☆54Updated 4 months ago
- ☆36Updated last month
- A tool to draw Graphene Oxide 3D chemical structures. (Python 2.7)☆10Updated 7 years ago
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆13Updated 5 years ago