[gmx-users] Energy units
Cheong Wee Loong, Daniel
dcheong at ihpc.a-star.edu.sg
Thu Jan 7 06:51:33 CET 2010
This may be a silly and trivial question, but the energy unit given in Gromacs is kJ/mol. What I don't quite understand is, the energy is per mole of what exactly?
The energy is system size dependent, so if I double the number of molecules, the energy will double accordingly. But then the unit kJ/mol seems to imply that it is size-independent. So how do I reconcile this?
Also, let's say I have a protein molecule surrounded by water molecules. Again in this case, I don't quite understand what "per mole" means in this case.
Thanks in advance for any insights you can teach me.
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