[gmx-users] Coul-LR

[Anton Feenstra]

Nguyen Hoang Phuong wrote:

> 
> Dear All,
> 
> I would like to calculate the electrostatics potential of waters acting on
> one atom of the solute. Gromacs only provides the short-range interaction
> potential Coul-SR. Does anyone know how to get the Coul-LR?

Set rcoulomb > rlist.


-- 
Groetjes,

Anton

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|  _   _  ___,| K. Anton Feenstra                                     |
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