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

**Date:** Wed Jul 19 2006 - 14:08:07 CDT

**Next message:**a-yermakova_at_northwestern.edu: "#QNAN: Please help!"**Previous message:**Jackie: "total mol calculation"**Next in thread:**Peter Freddolino: "Re: total mol calculation"**Reply:**Peter Freddolino: "Re: total mol calculation"**Messages sorted by:**[ date ] [ thread ] [ subject ] [ author ] [ attachment ]

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

---------------------------------

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

**Next message:**a-yermakova_at_northwestern.edu: "#QNAN: Please help!"**Previous message:**Jackie: "total mol calculation"**Next in thread:**Peter Freddolino: "Re: total mol calculation"**Reply:**Peter Freddolino: "Re: total mol calculation"**Messages sorted by:**[ date ] [ thread ] [ subject ] [ author ] [ attachment ]

*
This archive was generated by hypermail 2.1.6
: Wed Feb 29 2012 - 15:43:51 CST
*