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choderalab / openmmtools

A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
http://openmmtools.readthedocs.io
MIT License
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Add large GPCR system for benchmarking #52

Open jchodera opened 9 years ago

jchodera commented 9 years ago

This might be useful for helping benchmark systems relevant to Chaya's work.

jchodera commented 9 years ago

We should add some other large systems of interest as well (e.g. MHC-peptide-TCR).

jchodera commented 9 years ago

@ChayaSt : Do you have a large GPCR system you could use for this purpose? Something that could be read into OpenMM? I think you might have passed something on to Peter Eastman at some point.