Thanks for your reply Alex.
On 23 February 2018 at 02:01, Alex <nedoma...@gmail.com> wrote:
> 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.
> 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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Thanks & regards,
Senior Research Fellow,
Prof. Biman Bagchi's Lab,
Solid State and Structural Chemistry Unit,
Indian Institute of Science,
Bangalore - 560012,
Gromacs Users mailing list
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