maccallumlab / martini_openmmLinks
☆56Updated 2 years ago
Alternatives and similar repositories for martini_openmm
Users that are interested in martini_openmm are comparing it to the libraries listed below
Sorting:
- Force Fields☆64Updated 7 months ago
- A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.☆72Updated 2 years ago
- OpenMM plugin to interface with PLUMED☆67Updated 6 months ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆83Updated last month
- The public versio☆61Updated 2 years ago
- ☆38Updated 11 months ago
- INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems☆65Updated last year
- Random Acceleration Molecular Dynamics in GROMACS☆39Updated last year
- Describe and apply transformation on molecular structures and topologies☆118Updated this week
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆60Updated last year
- ☆33Updated 10 months ago
- Tutorials of few enhanced sampling methods along with bash script to run the method in a single shot..☆48Updated 4 years ago
- Workshop teaching QMMM using Amber☆65Updated 3 weeks ago
- ☆68Updated last year
- ☆65Updated last month
- Density based object completion over PBC.☆30Updated 8 months ago
- MDANCE is a flexible n-ary clustering package for all applications.☆70Updated last month
- Force fields in various formats☆26Updated last year
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆71Updated 7 months ago
- An OpenMM plugin that implements the Alchemical Transfer Potential☆39Updated 2 years ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆128Updated last week
- ☆69Updated 2 months ago
- Simple protein-ligand complex simulation with OpenMM☆87Updated last year
- Sample inputs and tutorial for GROMACS-2022/CP2K QMMM interface☆36Updated 3 years ago
- Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)☆32Updated last year
- ☆67Updated 2 years ago
- Analysis of non-covalent interactions in MD trajectories☆61Updated 7 months ago
- Best practice document for alchemical free energy calculations going to livecoms journal☆75Updated last week
- Trusted force field files for gromacs☆58Updated 10 months ago
- Martini 3 small molecule database☆64Updated 3 weeks ago