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
--
========================================
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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