[gmx-users] Charmm to Gromacs: Polyols force field [Justin]

[Eudes Fileti]

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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