Hello everybody, I'm trying to create a dipeptide (L-PHE-L-PHE) from the PHE CHARMM residue. This dipeptide has a positively charged site (NH3+) and a negatively charged site (COO-). My PDB file ( https://sites.google.com/site/fileti/ ) does not seem to be consistent and produces error when I execute pdb2gmx.
The link above presents the PDB and the error message from pdb2gmx (which I have not found similar in the forum). Could someone give me a hand with that? Bests eef _______________________________________ 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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