Tinker
Description
The TINKER molecular modeling software is a complete and general package for molecular mechanics and dynamics, with some special features for biopolymers.
License
To use the application, you first need to accept its licence.
Usage
Upcoming modulesystem change alert!
Due to large number of applications and their versions it is not practical to keep them explicitly listed at our wiki pages. Therefore an upgrade of modulefiles is underway. A feature of this upgrade will be the existence of default module for every application. This default choice does not need version number and it will load some (usually latest) version.
You can test the new version now by adding a line
source /cvmfs/software.metacentrum.cz/modulefiles/5.1.0/loadmodules
to your script before loading a module. Then, you can list all versions of tinker and load default version of tinker as
module avail tinker/ # list available modules module load tinker # load (default) module
If you wish to keep up to the current system, it is still possible. Simply list all modules by
module avail tinker
and choose explicit version you want to use.
Documentation
Homepage
https://dasher.wustl.edu/tinker/ https://github.com/TinkerTools/tinker