[gmx-users] About topology protein?

Absalom Zamorano absalomz2002 at yahoo.com.mx
Thu Feb 9 17:49:40 CET 2006

Hi gromaxers...
I want to run MD of assembly of peptides and unfolding
of proteins, but I have some doubts..
 1)Which is the best Force field to do that?
 2)When I generate the top file by pdb2gmx, Have I to
print the file and check out it (my problem is that I
have protein with 240 residues!)?, or Could I feel
secure about it?, or Are there some key messages in
the outputs to give traces that some wrong is in the
top file?
Thanks for advances...

Dr. Absalom Zamorano Carrillo 
Profesor Titular A 
Programa Institucional de Biomedicina Molecular, ENMyH-IPN
Guillermo Massieu  Helguera  #239 Fracc. "La Escalera"
Ticomán, D.F. México, C.P  07320
Tel. (55) 57296000,  ext 55542

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