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. Please help..
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Received on Wed Mar 09 2016 - 01:00:04 PST
