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Workflow mixing molecular dynamics and Monte Carlo #14

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mattwthompson opened this issue Nov 19, 2019 · 2 comments

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mattwthompson commented Nov 19, 2019

Should ™️ be straightforward enough

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rsdefever commented Nov 19, 2019

I am happy to take a stab at this

mattwthompson assigned rsdefever

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mattwthompson commented Nov 19, 2019

Cool! Feel free to keep it simple, i.e. simple properties like the density of a box of alkanes would be plenty.

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