How to train the force field parameters

[Tao Cheng]

Hi All

I am particularly interested in developing the force field parameter.

I have gone over the manual, in which I found that I should consult in this google group for details.

Any suggestions will be appreciated.

Thanks,

Tao

[ChIMES]

Hi Tao,

Thank you for your note and interest in ChIMES. We have not yet released our fitting software for creating parameterizations. As a result, currently the ChIMES code can only be used for energy/force/stress tensor calculations with pre-existing parameter sets. We hope to have a public release of the fitting software in the next few months. We'll definitely post here once it's ready.

Best,

Nir Goldman

[Tao Cheng]

Thanks for the prompt response.

It is very exciting, because ChIMES does have great potential to play an important role in advancing the simulation.

I am looking forward to it.

Best,

Tao

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[rkl...@umich.edu]

Hi Tao,

I know it is has been some time, but I wanted to let you know the fitting software is now available on GitHub (link).

Best,

Becky

[Tao Cheng]

Great,

Thanks for the good news.

I will give it a try.

Best,

Tao

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