[gmx-users] Coul-SR:SOL-SOL

[Justin A. Lemkul]

Vitaly Chaban wrote:
> Thank you very much!
> 
> So what energy is described by Coul-SR:SOL-SOL? And by LJ-SR?
> Lennard-Jones-short range..? What is it?
> 

I'm not 100% sure, as I've never had a need to break down energy terms in this 
level of detail, personally.  My guess would be that the SR contributions would 
come from short-range cutoffs, i.e. those that come from neighborsearching.  The 
LR contributions would be, for example, from PME.

If I've missed it, someone please correct me.

-Justin

> 
> JAL> Vitaly Chaban wrote:
>>> Hello,
>>>
>>> Please give me a hint what 'SR' in
>>> Coul-SR:SOL-SOL
>>>
>>> mean? It's in g_energy when it asks to select terms for analysis.
>>>
> 
> JAL> SR = short-range
> 
> 
> 

-- 
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Justin A. Lemkul
Graduate Research Assistant
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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