Andrew White

* https://arxiv.org/pdf/2110.00987.pdf * https://papers.nips.cc/paper/2020/file/3fe230348e9a12c13120749e3f9fa4cd-Paper.pdf * https://arxiv.org/pdf/2106.04509.pdf * https://arxiv.org/pdf/2110.07728.pdf

Hi @peastman thanks for the response. From my understanding I would need to do the following to make a minimal plugin after using those flags: 1. Rename items in `CMakeLists.txt`...

Great thanks for explaining @peastman the steps to take! Also, you may want to consider making the example plugin a [template repository](https://docs.github.com/en/repositories/creating-and-managing-repositories/creating-a-template-repository) so people can use the template. This enables...

Thank you @szferi! That solved this problem for me. If anyone was having trouble with their own CLIENT_ID, this fixed it. It's not ideal, since it's more permissive than it...

In my group, for testing and tutorials we use containers (i.e., Docker) so that users do not need to compile or install programs. This also enables use on Windows, Mac,...

You could just type: ```bash docker run -it whitelab/gw-tutorial ipython ``` and it would pull a remote container and bring up an ipython terminal with gromacs and gromacswrapper installed on...

1. Combining Enhanced Sampling with Experiment Directed Simulation of the GYG peptide. DB Amirkulova, AD White. (2018) Journal of Theoretical Computational Chemistry. 17 (03): 1840007. 2. Encoding and Selecting Coarse-Grain...

Hi, I'd be happy to help to the article and be listed as a co-author for my small contribution to the repo. I will get the requested info next week....

Got it, thanks. I'll try to figure out how to incorporate that code into the chapter.

Can you clarify @RDWE - I cannot seem to understand the typo you're pointing out. thanks