On 9/25/12 5:20 PM, Elie M wrote:
Sorry one more thing: For one of the atoms S that x2top did not assign the topology it
said 0 bonds although S is a part of the Thiophene molecule which is connected to two
carbons..what does it mean "0 bonds"?
It means there is no entry in the .n2t file that matches this atom.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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