Hi everyone,
I am trying to add Fe3+ ions to my system in leap, however, I have tried using Fe3+ and FE3 as the names for the ion when I use the addions command. I know that FE2 works when I want to add Fe2+ to my system. I am sourcing the ff14SB force field and tip3p water model libraries, which should include this ion. Any help would be appreciated.
Thanks,
Gonzalo Vazquez
St. John's University
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Received on Mon Feb 13 2023 - 12:00:03 PST
