[gmx-users] Dipeptide generation problem

[Eudes Fileti]

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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