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Re^6: linear bends, DLC and relaxed scan

Alex Granovsky


I finally had a chance to look at your files.

Two links of importance here are:

I'm attaching the working example for the molecule you are interested in.

On Thu Jul 21 '11 3:13am, Jonas Baltrusaitis wrote
>So... It's not working with all the support I am getting from Luca off the forum. Maybe Alex could take a look why it aborts and what can be done to make it work? Again, lower opttol values seem to work but moderate 5x10-5 doesn't

This message contains the 7868 kb attachment
[ conf1_fixed.rar ]

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