Yes I also think that the large length of the straight-chain exohedral
functional is creating the problem. So, I just optimize the structure of
the nucleobase in Turbomole where it became somewhat bent and I attach it
to the carbon nanotube and the antechamber is running now!
Thanking you,
Regards,
jit mukherjee
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Received on Tue Jun 26 2012 - 03:00:03 PDT
