[gmx-users] query about coul-SR

Saumyak Mukherjee mukherjee.saumyak50 at gmail.com
Thu Feb 22 21:08:16 CET 2018


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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