[gmx-users] a quick question (forgot to ask).
jalemkul at vt.edu
Tue Sep 25 23:21:46 CEST 2012
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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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