[Pw_forum] What tool should I use?

Jonathan Saboury jsabou1 at gmail.com
Sat Oct 19 05:13:14 CEST 2013


Concerning on my previous post "Iron(III) Hydroxide complex with
Enterobactin<http://qe-forge.org/pipermail/pw_forum/2013-October/102386.html>
".

I am trying to figure out what tool should I use to prove that it would
form a complex. I was considering Nudged Elastic Band method (PWneb), but
that would just show me the transition, not if it would happen or not.

Can anyone please point me to the right direction. What would you use if
you wanted to prove this?

Thank you :)
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