Re: Units of sigma and epsilon

[Jean-Noël Grad]

Dear Raghav,

The unit system is taken from Fuentes-Azcatl and Barbosa 2016 
(https://doi.org/10.1021/acs.jpcb.5b12584). Sigmas are in Angstroms, 
epsilons in kbT. You'll find more details in tutorial 02 part 1 section 
6 
(http://espressomd.org/html/tutorials_html/02-charged_system/02-charged_system-1.html#6-Task---Real-Units) 
and its solutions scripts for the P3M method or in tutorial 02 part 2 
(http://espressomd.org/html/tutorials_html/02-charged_system/02-charged_system-2.html) 
for the ELC method. The paper shows how this NaCl forcefield was 
parameterized and validated.

Best,
JN

On 3/9/20 11:02 AM, Raghvendra Singh wrote:
> Dear EspressoMD users,
>
> I have been trying some examples from espressmd sample directory and would like 
> to know what are the units of sigma and epsilon in the visualization_charged.py 
> script for colloids.
> I am planning to run simulations on large colloidal particle of diameters 
> ranging from 100-500nm.
> if someone can provide me details regarding the unit system used in the 
> visualization_charged.py then I can adapt to the unit system with parameters 
> for large colloidal particles.
>
> if someone can help me out regarding parametrization of large colloidal 
> particle (not the raspberry model but simple point particle of LJ-kind).
>
> Thanking you
>
> Best
> Raghav