Address lingering issues from peer review

MobleyLab / basic_simulation_training

A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations (oriented towards molecular dynamics (MD)), providing some training itself and linking out to other helpful information elsewhere. The intent is that this provide information on the prerequisites which will be required for understanding/following many of the other "best practices" documents being prepared.

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Address lingering issues from peer review #95

Closed davidlmobley closed 5 years ago

davidlmobley commented 5 years ago

This addresses the remaining issues from peer review from this comment, except for the figure change we need Samarjeet for.

This- Clarified issue about entropy mattering not just for free energies

Address what scaling means for barostats
Address whether Langevin reduces to Andersen when there is no damping
Addresses semigrand ensemble

davidlmobley commented 5 years ago

@justinGilmer or @JIMonroe ready for review/merge I think.

JIMonroe commented 5 years ago

Looks good to go!