Dear sir/madam,
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..
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Received on Wed Mar 09 2016 - 01:00:03 PST
