ties_md
Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.
Installation
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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 13:20
License
LGPL-3.0-only
Total Downloads
6.8K
Version Downloads
2.3K
Supported Platforms
noarch
GitHub Repository
https://github.com/UCL-CCS/TIES_MDDocumentation
https://ucl-ccs.github.io/TIES_MD/