**From:** Jackie (*jgogolski_at_yahoo.com*)

**Date:** Wed Jul 19 2006 - 14:07:57 CDT

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Hi all,

Sorry about this, I imagine this answer is pretty straightforward, however, I just want to make sure I'm doing this right. I would like to calculate adsorption energy for a system and a part of that equation requires that I use total energy. If namd gives the values of Total energy in kcal/mol, how do I calculate the total number of mols to multiply the toal energy by to end up with kcal? For example, if there is water and gold. Do I just add up the number of mols of water to the number of mols of gold together and then multiply? How do I find this?

Thanks!

Jackie

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