Add ATMForce #7
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Add ATMForce #7
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Author
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Hello@ex-rzr. Is openmm-hip still maintained? |
Contributor
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It's maintained by AMD developers, I (and StreamHPC in general) don't have permissions to push to this repository. Let's summon @jdmaia |
Author
ex-rzr
added a commit
to StreamHPC/openmm-hip
that referenced
this pull request
Oct 14, 2023
Related to amd#7
Contributor
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I'm merging this and other PRs to https://github.com/StreamHPC/openmm-hip/commits/develop_stream for now. Please do not merge this PR because I also added a missing test file StreamHPC@65e105f Also a related fix for CUDA: openmm/openmm#4267 |
Author
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Thanks! |
Open
Contributor
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Included in #14 |
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This ports the Alchemical Transfer Method potential (ATMForce) recently integrated into OpenMM's main branch to the HIP platform.
The AToM-OpenMM protein-ligand binding free energy application is based on ATMForce. It runs well on AMD hardware.