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

KS Rotondi ksr at chemistry.umass.edu
Tue Aug 24 22:09:42 CEST 2010


The link takes me to the Tab Potentials page, but using the latest  
Firefox with Mac OS 10.5.8 there are gaps in the text but no functions  
shown at the top of the page. E.g. generic form is:  several blank  
lines, LJ form is: even more blank lines, etc.



On Aug 24, 2010, at 3:48 PM, Justin A. Lemkul wrote:

>
>
> 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
>
> -- 
> ========================================
>
> 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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