Workflow mixing molecular dynamics and Monte Carlo

mosdef-hub / mosdef-workflows

Sample molecular simulation workflows using a MoSDeF and community tools

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Open mattwthompson opened 4 years ago

mattwthompson commented 4 years ago

Should ™️ be straightforward enough

rsdefever commented 4 years ago

I am happy to take a stab at this

mattwthompson commented 4 years ago

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