[gmx-users] LIE equation

Cesar Lopez inmuno_cl at yahoo.com
Sun May 15 02:13:52 CEST 2005


Dear Friends,
 
Actually it is a question for the Gromac's programers. I want to  know exactly, What is the equation used to calculate Free energy using LIE. It is the usual of the papers???? or maybe change, because the use of Lj instead of van der wals????
 
Thanks in advance
Cesar

		
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