KIMMDY
Getting Started
How-To
Tutorials
Explanations
Reference
Source Code
Report a Bug
Guide
Tutorials
Guide
Options
Explanations
Visualize Topologies
How-To
Contribute
High Performance Computing
Tutorials
Run KIMMDY from Colbuilder fibril
Getting Started
Writing a Reaction Plugin
Function Reference
Reference
API
cmd
Topology
topology.topology
topology.ff
topology.utils
topology.atomic
parsing.TopologyDict
Modules
constants
coordinates
config
kmc
parsing
runmanager
tasks
recipe
plugins
analysis
utils
tools
Reaction Plugins
homolysis.reaction.Homolysis
hat_naive.reaction.NaiveHAT
dummyreaction.reaction.DummyReaction
Categories
All
(3)
developer
(1)
user
(2)
Guide
Tutorials
Tutorials
Tutorials to help you get familiar with KIMMDY.
Getting Started
user
In this tutorial we will be simulating hydrogen atom transfer in a simple ACE/NME-capped Alanine molecule in a box of water.
Jannik Buhr
Run KIMMDY from Colbuilder fibril
user
In this tutorial we will download a collagen fibril from colbuilder and run a KIMMDY simulation on it.
Eric Hartmann
Writing a Reaction Plugin
developer
In this tutorial, you will learn how to create your own reaction plugin in a GitHub repository.
Eric Hartmann
No matching items
Back to top
High Performance Computing
Run KIMMDY from Colbuilder fibril