Created by Frederico Campos Freitas
This is a set of scripts to evaluate the number of contacts in a GROMACS-SMOG simulation. Some features were implemented to fit our needs, so feel free to make any changes in order to tailor the scripts to your needs.
It relies on mdtraj, so you will need it installed alongside the numpy library.
You may find some useful information in the comments of each script.
Feel free to contact us if you need some help: fredcfreitas(at)gmail.com
-
Notifications
You must be signed in to change notification settings - Fork 0
License
ronaldolab/pyContactProbability
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
About
No description, website, or topics provided.
Resources
License
Stars
Watchers
Forks
Releases
No releases published