[AMBER] Error in step 3 of MCPB.py

From: Shahila Muhammed <shahilaorganica.gmail.com>
Date: Fri, 17 May 2019 13:32:55 +0530

Dear AMBER users,

I was trying to to get the parameters for an Iron complex using MCPB.py. I
did the Gaussian calculations in G09. In the third step to get the mol2
files of the residues, I am getting the following error

"The length of coordinates and ESP charges are different!"

Is it because the MK RESP charge calculation output is not in the format
needed? What can i do to resolve this?

Thank you 
-- 
Shahila Muhammed
Research Scholar
National Institute of Technology Calicut
Kozhikode, India
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Received on Fri May 17 2019 - 01:30:02 PDT
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