[gmx-users] free energy calculation

Edgar Luttmann edgar.luttmann at mpi-bpc.mpg.de
Tue Dec 21 17:12:40 CET 2004


I'm a little bit confused about the output of free energy calculations. 
The results seem to be (from the xvg file) in units of kJ/(mol nm^2 l) 
and I don't see the origin of this nm^2?

Can anyone give me a hint where this is coming from?

Merry Xmas


Dr. Edgar Luttmann
Max-Planck-Institute for Biophysical Chemistry
Department 070 - Theoretical and Computational Biophysics Group

Am Fassberg 11, 37077 Goettingen, Germany
Tel: +49 551 201-2320, Fax: +49 551 201-2302
E-Mail: edgar.luttmann at mpi-bpc.mpg.de / eluttma at gwdg.de

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