Hi,
I'm trying to add an extra point to an N2 molecule. After adding the EP to the prep and frcmod files I get the error
EXTRA_PTS: frtype 2 Should not be here
2 1 1 0
What does this mean? Am I going about the process of adding extra points entirely the wrong way?
Thanks,
Jason
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Received on Sun Nov 07 2010 - 19:30:03 PST
