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.
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