Dear all:
I'm trying to build topology and param files for a
lipid molecular with antechamber. instead of the
commonly used gaussian/gamess, we have only jaguar
available. althought there is a option for juguar
Output in antechamber description, when apply jaguar
output for resp charge fitting, it failed. ( error :
Gaussian output is required")
Could anybody share some experience with charge
fitting using jaguar?
Any csuggestion would be highly appreaciated!
Best regards,
Wei Zhang
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Received on Wed Mar 12 2008 - 06:07:46 PDT
