basic_simulation_training

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(Longer term) Expand discussion of PBC to address visualization issues with "molecules outside the box"

2

If I had $1 for every time I've had to explain why molecules appear "outside the box" on visualization, I'd be quite wealthy. In a subsequent revision we should add...

davidlmobley

Defining 'NVT' and 'NVE'

3

On page 12, NVT and NVE ensembles are used without being defined. I don't actually see definitions anywhere in the paper.

mrshirts

Shorter paragraphs in future versions?

1

I think it would probably improve readability.

mrshirts

To do items for a subsequent revision (?)

2

Things it doesn't seem like we will get to for our initial version, but which would probably be good to include: - "Blowing up" as a symptom of deeper problems/energy...

davidlmobley

Migrate cited Shell notes to GitHub

5

@JIMonroe - in your section you cite some specific notes from Scott Shell; can you give the URL of the ones you are referencing? Scott has given us permission to...

davidlmobley