From: Monika Kumari (Monika.Kumari_at_chemistry.iitd.ac.in)
Date: Tue Sep 27 2022 - 09:40:23 CDT
Dear all,
I am working on a bilayer system in presence of NaCl salt. I calculated
pair interaction energies of two (random) sodium ions for some timeframes.
However, the plugin is giving negative interaction energies (~-2.5
kcal/mol) for most of the frames which I believe is not possible under any
conditions for two cations. I don't know where I can go wrong.
Is there anyone who has encountered the same issue? I would be grateful for
the helpful suggestions.
Thanks.
Best,
Monika
This archive was generated by hypermail 2.1.6 : Tue Dec 13 2022 - 14:32:44 CST