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Perform bulk simulations of newly typed OPLS molecules #321

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rmatsum836 opened this issue Feb 27, 2020 · 0 comments
Open

Perform bulk simulations of newly typed OPLS molecules #321

rmatsum836 opened this issue Feb 27, 2020 · 0 comments

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@rmatsum836
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Describe the behavior you would like added to Foyer
Now that we're improving our coverage of OPLS (#319, #320 just to name a few), some bulk simulations of these molecules should be run to validate their properties.

Describe the solution you'd like
@Argon1999 has agreed to run some bulk simulations of these molecules and run some simple analyses like RDFs and MSD.

Describe alternatives you've considered
A clear and concise description of any alternative solutions or features you've considered.

Additional context
Add any other context or screenshots about the feature request here.

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