cbrackley / simple_lammps_tutorialLinks
A simple tutorial for simulating polymers in LAMMPS.
☆9Updated 6 years ago
Alternatives and similar repositories for simple_lammps_tutorial
Users that are interested in simple_lammps_tutorial are comparing it to the libraries listed below
Sorting:
- Running a molecular simulation with the polarizable force field in LAMMPS☆19Updated 2 years ago
- GROMACS input files☆19Updated 2 years ago
- Coarse-graining library that implements Force-matching☆11Updated 4 years ago
- Python interface for Enhanced Monte Carlo (EMC)☆19Updated 2 months ago
- Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…☆15Updated 7 years ago
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆14Updated 6 months ago
- Perform polymerization and crosslinking in MARTINI coarse-grained forcefield using GROMACS MD package☆21Updated 4 months ago
- Materials, issues and things for the 2018 Workshop and Hackathon☆14Updated 5 years ago
- Generate PEG topology for GROMACS and LAMMPS☆22Updated 10 months ago
- ☆12Updated last week
- ☆15Updated 6 months ago
- Python-based tool to calculate instantaneous interfaces and concentration/orientation profiles from molecular simulation trajectories in …☆11Updated 5 years ago
- Playmol is a(nother) software for building molecular models☆19Updated 2 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
- This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles☆38Updated 2 months ago
- A set of tutorials to introduce new users to mBuild☆11Updated 4 years ago
- Python script for calculating vibrational density of states (DOS) from LAMMPS dump file☆16Updated 10 months ago
- ☆14Updated 8 years ago
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆20Updated this week
- ☆26Updated 3 weeks ago
- A force field for the simulation of inorganic-organic interfaces (INTERFACE-CHARMM, INTERFACE-PCFF)☆14Updated last year
- A tool for performing post-processing of lammps log files☆13Updated 3 years ago
- NanoOpt: Deriving potentials for coarse-grained nanoparticles via potential-matching☆10Updated 3 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated 2 months ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆11Updated 2 months ago
- Polarisable force field for ionic liquids☆16Updated 7 months ago
- Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).☆11Updated 3 years ago
- Interface aenet with the LAMMPS molecular dynamics software (https://lammps.sandia.gov)☆8Updated 4 months ago
- Code and examples to compute IR spectra from normal mode analysis☆13Updated 2 years ago
- Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…☆10Updated 4 years ago