Hello,
I am having trouble with the gaff force-field. I used antechamber to generate,
from ligand coordinates, my prep file and, when I open this file, I found a
carbon atom of cz type. However, this type is not reported in gaff.dat
file... Therefore, what type is it?
When I visualize my prep file with xleap and look at the type definition there
is a ? for this atom. Any suggestion?
Regards
Florent
-------------------------------------------------
Dr Florent Barbault
Maitre de conferences
Universite Paris Diderot
Laboratoire ITODYS
15 rue Jean de Baïf, bâtiment Lavoisier
75013 Paris FRANCE
http://www.itodys.univ-paris7.fr/spip.php?article77
tel : (33) 01-57-27-88-50
e-mail : florent.barbault.univ-paris-diderot.fr
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Received on Wed Mar 03 2010 - 06:00:17 PST
