[gmx-users] Potential for Frozen atoms

[sukriti002]

Hi,

I wanted to find out site-site potential between two Copper(Cu+2) ions at a
particular distance and fixed geometry. So I constructed a box containing 2
Cu+2 and 2 sulfate ions very far away to make the system charge zero. Then i
froze these atoms and did energy minimization step. But in result I get zero
potential energy. Can anyone please let me know what went wrong? I can i
find out this potential at a particular ion-ion distance?

Thanks and Regards
Sukriti Gupta

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