[gmx-users] LJ Plot

[nishap.patel at utoronto.ca]

Quoting "Justin A. Lemkul" <jalemkul at vt.edu>:

   How does sigeps read the input file? I tried using sigeps to plot  
LJ for different solutes in solvent and it gives me the same C6 and  
C12 value, when it runs, which seems a weird.

c6    =  1.00000e-03, c12    =  1.00000e-06
sigma =      0.00000, epsilon =      0.00000
Van der Waals minimum at 0, V = nan

Is it the default?
>
>
> nishap.patel at utoronto.ca wrote:
>> Hello,
>>
>>   Is there an option to plot Lennard Jones potential? I tried   
>> looking through the list and manual but I did not find any   
>> suggestions on how I could plot a LJ 6-12 potential plot.
>>
>
> g_sigeps
>
> -Justin
>
>> Nisha
>>
>>
>
> -- 
> ========================================
>
> 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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