total mol calculation

From: Jackie (
Date: Wed Jul 19 2006 - 14:08:07 CDT

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?

Talk is cheap. Use Yahoo! Messenger to make PC-to-Phone calls. Great rates starting at 1/min.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:42:22 CST