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Item | Presenter | Notes |
|---|---|---|
Timeline for protein FF benchmarks | MRS: are we planning to run them on OpenMM, or something like GROMACS (can take advantage of CPUs, which OpenMM cannot). MRS: What if any FF are we planning to compare to (if this is already written up, just point me to the project page!) | |
Running ESPALOMA force field through same protein FF benchmarks. | If he wants to? | |
Someone in Shirts group running protein crystals benchmarks? |