Dear Jesmita Dhar,
See
http://archive.ambermd.org/201602/0473.html
regards, Francois
> I want to create a parameter file for graphene oxide. But due to its
> huge structure antechember can not create the paramater file. So we
> select a unit from the graphene oxide. The selected unit would be
> optimized in gaussian with RESP prereq as I want to use the gaussian
> output to get RESP charges and Gaff atom types in ANTECHEMBER. I have
> run optimization in gaussian 09 software. But can not able to calculte
> RESP. Is it possible to get RESP charge from antechember? If yes, what
> should be command.Here I am attaching the optimized pdb file of
> graphene oxide. Please help..
F.-Y. Dupradeau
---
http://q4md-forcefieldtools.org/FyD/
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Received on Fri Mar 11 2016 - 04:30:06 PST
