[gmx-users] Potential for Frozen atoms

sukriti002 sukriti002 at e.ntu.edu.sg
Thu Apr 17 05:55:00 CEST 2014


Actually I just want to find out potential between two Cu2+ ions, but as
gromacs doesn't allow total charge to be a non zero value, I had to add two
sulphate ions. So I kept 2 sulphate ions at a distance more than cutoff
distance from each copper ion as well as from each other.

Regards
Sukriti

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