From: matthew reeves (mreeves94_at_gmail.com)
Date: Fri Apr 14 2017 - 16:49:54 CDT
I've just run a NAMD simulation on two macromolecules and isolated the the interaction energy (VDW + electrostatic). But the interaction energy seems to be ~-800 kcal/mol, which is extremely high considering it is just the interaction energy.
Would I be correct in assuming that one mole in this case actually represents one mole of the entire system, instead of a mole of atoms? I know this seems like a rather strange question but any assistance would be appreciated.
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