Add in reference calculations

samplchallenges / SAMPL6

Challenge inputs, details, and results for the SAMPL6 series of challenges

https://samplchallenges.github.io

MIT License

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Add in reference calculations #81

Closed bergazin closed 5 years ago

bergazin commented 5 years ago

Here I've included the CSV submission files for the following conditions used for in reference calculations: REF01 - GAFF tip3p force balance REF02 - GAFF tip3p REF03 - GAFF OPC
REF04 - SMIRNOFF tip3p force balance REF05 - SMIRNOFF tip3p
REF06 - SMIRNOFF OPC

I will add in REF07 - GAFF OPC afterwards

davidlmobley commented 5 years ago

Updated.

davidlmobley commented 5 years ago

Oops, I need to get main README.md also.