Rohit Malshe wrote:
Dear all,
I want to use a system in which
Epsilon AA = 1 and Epsilon BB = 0.5.
But I want to use Epsilon AB = 1.5.
How do I do that in gromacs?
http://www.gromacs.org/Documentation/How-tos/Tabulated_Potentials
-Justin
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========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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