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@davidlmobley
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Has some overlap with #54 as I was also hitting "timesteps", but some other stuff:

  • Constant pH reference
  • Energy drift

@JIMonroe can you have a look? I could also make this a PR to your PR depending on what's easier for you.

@davidlmobley
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I'm going to make further edits in a separate PR to avoid creating too many conflicts, so this one can actually be merged whenever we decide which route is easiest.

@davidlmobley davidlmobley changed the title [WIP] Also a minor PR/minor to-do addressing Also a minor PR/minor to-do addressing Jul 31, 2018
@JIMonroe
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Great, if that's the case, then I may merge mine in then get to addressing any conflicts with these. Looks good though!

@davidlmobley
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OK, perfect, thanks @JIMonroe . So yours could go first then we could get this one in.

@davidlmobley
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As a note, next I'm working on the "main steps of a molecular dynamics simulation" section and have about one more hour to work on it this afternoon.

@JIMonroe JIMonroe merged commit 19011e0 into master Aug 1, 2018
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3 participants