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Consider updating DEFAULT_TEMP from 300 K to 298.15 K #827

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maxentile opened this issue Sep 13, 2022 · 0 comments
Open

Consider updating DEFAULT_TEMP from 300 K to 298.15 K #827

maxentile opened this issue Sep 13, 2022 · 0 comments

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@maxentile
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Migrated from #825 (comment)

Ideally thermodynamic parameters should be as consistent as possible between simulation conditions and experimental conditions, but (1) small differences may be inconsequential, (2) there may be overriding considerations.

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