I using the command obabel t.sdf -O t.gjf -m -k "opt" in Linux to convert a sdf file to multiple gaussian gjf files. yes it works, but it was always got "Unable to translate keywords!" in the first line in gjf files.
I also try obabel t.sdf -O t.gjf -m -k"opt" also try obabel t.sdf -O t.gjf -m -kopt always always "Unable to translate keywords!" appeared in the result files. so, how can I do to add gaussian keywords into the result files? thank u for your help! Qiang Zhang
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