ties_md
Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.
Installation
To install this package, run one of the following:
Installation commands are not available for this package.
Usage Tracking
1.4.1
1.3
1.2.1
3 / 8 versions selected
Downloads (Last 6 months): 0
Description
TIES_MD allows for the automation of binding free energy calculations in NAMD and OpenMM following the TIES protocol.
About
Summary
Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.
Last Updated
Oct 7, 2022 at 13:17
License
LGPL-3.0-only
Total Downloads
0
Version Downloads
0
GitHub Repository
https://github.com/UCL-CCS/TIES_MDDocumentation
https://ucl-ccs.github.io/TIES_MD/