Dear Amber users,
I am trying to parametrize the cation from propidium iodide (
http://en.wikipedia.org/wiki/Propidium_iodide) using Antechamber. It has a positive charge of +2. I get this message:
$AMBERHOME/exe/antechamber -i minimizado.mol2 -fi mol2 -o minimizado.ac -fo ac -nc 2
Info: Bond types are assigned for valence state 1 with penalty of 1
I have read some answers to problem related, such as atoms missing....but it is not my case, I have checked the structure and all seems to be OK.
I am using Ambertools in Amber11 and I have also tried in Amber12 and the error is the same.
Any help would be much appreciated!!
Best wishes,
Rebeca.
Dr. Rebeca Garcia
Santiago de Compostela University
Spain
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Received on Fri Mar 13 2015 - 02:30:04 PDT
