Hello Justin, thanks again. Well, the line 40 is just one of the 36 parameters not found! In this link ( https://sites.google.com/site/fileti/ ) I put the complete files. I know I need to determine which bond type should be called and I believe that it has been done, but I don't know why it's not being found.
The order of atoms in the link could be the cause of error? Ie, CA-CB would be different from CB-CA, or HO-OH-CB would be different from CB-OH-HO? If possible you take a quick conferred and gave me some guidance, it would be great! Bests ________________________________________ Eudes Eterno Fileti Centro de Ciências Naturais e Humanas Universidade Federal do ABC - CCNH Av. dos Estados, 5001 Santo André - SP - Brasil CEP 09210-971 +55.11.4996-0196 http://fileti.ufabc.edu.br
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