Dear all, I find the Lennard-Jones parameter epsilon of Na+ in Gmx is very different from some references. In gmx, I calculated sigma(Na+)=0.258nm, epsilon(Na+)=0.0617 kJ/mol But many researchers cited a paper by Dang LX [J. Am. Chem. Soc., 1995, 117, 6954-6960] and used parameters as follows sigma(Na+)=0.258nm, epsilon(Na+)=0.42 kJ/mol. I want to ask where parameter of Na+ in gromos force field comes from? Is it reasonable? Regards, Zhongqiao Hu Lab E5-04-27 Tel: 65161946(O) Department of Chemical and Biomolecular Engineering National University of Singapore 117576, Singapore
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