[gmx-users] hydrocarbon parameters.

[Eric Jakobsson]

We (Larry Scott's group and mine) published a paper a few years ago on 
unified atom hydrocarbon parameters that may have sort of gotten lost, 
based on work we have seen since then.  People may want to look at it for 
good unified atom L-J parameters.  It is:  Chiu, S. W., Clark, M. M., 
Jakobsson, E., Subramaniam, S., and H. L. Scott. 1999. Optimizations of 
hydrocarbon chain interaction parameters: Application to the simulation of 
fluid phase lipid bilayers.  J. Phys. Chem.  B 103:6323-6327

Eric


---------------------------------
Eric Jakobsson, Ph.D.
Professor, Department of Molecular and Integrative Physiology, and of 
Biochemistry
Senior Research Scientist, National Center for Supercomputing Applications
Professor, Beckman Institute for Advanced Science and Technology
4021 Beckman Institute, mc251
405 N. Mathews Avenue
University of Illinois, Urbana, IL 61801
ph. 217-244-2896       fax 217-244-2909


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