[gmx-users] Epsilon AA, Epsilon AB, Epsilon BB

[Justin A. Lemkul]

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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