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docs: update Amber interface
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Merge after AmberTools24 is published.

Signed-off-by: Jinzhe Zeng <[email protected]>
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njzjz authored Dec 19, 2023
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Expand Up @@ -19,9 +19,15 @@ By inferring with the DP model `frozen_model_compressed.pb`, dpdata will generat

An [OpenMM](https://github.com/openmm/openmm) plugin is provided from [JingHuangLab/openmm_deepmd_plugin](https://github.com/JingHuangLab/openmm_deepmd_plugin), written by the [Huang Lab](http://www.compbiophysics.org/) at Westlake University.

## AMBER interface to DeePMD-kit

An [AMBER](https://ambermd.org/) interface to DeePMD-kit is written by the [York [Lab](https://theory.rutgers.edu/) from Rutgers University. It is open-source at [GitLab RutgersLBSR/AmberDPRc](https://gitlab.com/RutgersLBSR/AmberDPRc/). Details can be found in [this paper](https://doi.org/10.1021/acs.jctc.1c00201).
## Amber interface to DeePMD-kit

Starting from [AmberTools24](https://ambermd.org/), `sander` includes an interface to the DeePMD-kit, which implements the [Deep Potential Range Corrected (DPRc) correction](../model/dprc.md).
The DPRc model and the interface were developed by the [York Lab](https://theory.rutgers.edu/) from Rutgers University.
More details are available in
- [Amber Reference Manuals](https://ambermd.org/Manuals.php), providing documentation for how to enable the interface and the `&dprc` namelist;
- [GitLab RutgersLBSR/AmberDPRc](https://gitlab.com/RutgersLBSR/AmberDPRc/), providing examples mdin files;
- [DP-Amber](https://gitlab.com/njzjz/dpamber/), a tiny tool to convert Amber trajectory to DPRc training data;
- [The original DPRc paper](https://doi.org/10.1021/acs.jctc.1c00201).

## DP-GEN

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