timemachine icon indicating copy to clipboard operation
timemachine copied to clipboard

Consider updating `DEFAULT_TEMP` from 300 K to 298.15 K

Open maxentile opened this issue 2 years ago • 0 comments

Migrated from https://github.com/proteneer/timemachine/pull/825#discussion_r970037993

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.

maxentile avatar Sep 13 '22 20:09 maxentile