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ajkluber / model_builder

Represents coarse-grain models for easy simulation and parameter fitting.
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All-atom SBM Hamiltonian #16

Open ajkluber opened 8 years ago

ajkluber commented 8 years ago

I am going to start development of an all-atom Structure-based model Hamiltonian on the devel branch. This shouldn't interfere with other branches but we should be conscious to merge branches whenever possible.

TensorDuck commented 8 years ago

I can merge the awsem test branch now if you would like. Right now, you can see the differences are only on four files: https://github.com/ajkluber/model_builder/compare/test_awsem

I just need to add back some lines I commented out for debugging purposes. And I need to handle the debye stuff and sourcing + parmaeterizing the model better, per our discussion in the debye thread. I think that would definitely be completely separate.

ajkluber commented 8 years ago

Yeah, please merge whenever you are able. The work will probably be separate but I might need to edit inputs.py at some point.

TensorDuck commented 8 years ago

merged my branch with master. I'll continue working on the paramterization of the awsem hamiltonian and will merge that when I'm done, but that should only affect awsem files.