[gmx-users] query about coul-SR

[Alex]

No, this is the particle-particle cutoff portion in the 
particle-particle + particle-mesh scheme. Unless the size of your entire 
protein is smaller than rcoulomb.

Alex


On 2/22/2018 1:07 PM, Saumyak Mukherjee wrote:
> Dear Users,
>
> In the output of gmx energy, coul-SR means short range Coulomb
> interactions. So if I have coul-SR for a protein, does it give the total
> self-interaction energy (Coulomb) of the protein?
>
> Any help is much appreciated.
>
> Thanks & regards,
>
> *Saumyak Mukherjee*
>
> Senior Research Fellow,
> Prof. Biman Bagchi's Lab,
> Solid State and Structural Chemistry Unit,
> Indian Institute of Science,
> Bangalore - 560012,
> Karnataka, India.
>
>
>
>
>
> ‌