[gmx-users] Calculation of non bonded interaction

Praveen Kumar pravink068 at gmail.com
Thu Jul 7 13:26:15 CEST 2016


Hi,

I want to calculate non bonded interaction between an ion pair (say "A" and
"B"). There are total 125 ion pairs in the system. How could I calculate
the average non bonded interaction between one cation and anion in the
system?



Thanks,
Pravin


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