Hi all,
I would like to simulate LDAO surfactant with the GAFF parameters. However i have a doubt about the atom types N and O atoms of the amine-N-Oxide group, I would like to use the GAFF atom types (N4 and O). I am not sure if it is a good choice.
According to GAFF2b7 (gaff.dat in AMBER12)
n4 14.01 0.530 Sp3 N with four connected atoms
o 16.00 0.434 Oxygen with one connected atom
Could you help me ?
Stephane
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Received on Mon Dec 10 2012 - 09:00:04 PST
