[AMBER] Extra points

From: Jason S Grosch <jgrosch.ucsd.edu>
Date: Sun, 7 Nov 2010 19:05:15 -0800

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
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