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Create tutorials for GIST #971

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drroe opened this issue Jun 7, 2022 · 1 comment
Open

Create tutorials for GIST #971

drroe opened this issue Jun 7, 2022 · 1 comment

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@drroe
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drroe commented Jun 7, 2022

GIST in CPPTRAJ now has a lot of functionality thanks to all the work being done from @fwaibl @tkurtzman @EricChen521 @jokr91 @gosldorf and others. I think that developing some tutorials for GIST would help users to understand how to use all this functionality and increase use of this powerful analysis method.

Currently there's only this tutorial on the Amber website and it's probably a bit out of date. If anyone has good examples or knows of anyone who might be interested in developing some GIST tutorials, let me know. Also, if there are other existing tutorials out there that I just don't know about let me know and I'll notify the Amber website people to link to them.

@fwaibl
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fwaibl commented Jun 7, 2022

We are actually working on a tutorial for GIST together with @tkurtzman. We don't know yet how much of the new functionality (different solvents etc.) will be included in the tutorial, but we will definitely mention them. We plan to publish it in LiveCoMS, but it is not yet publicly available.

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