[Molecularmechanics] Recycling CML

Konrad Hinsen molecularmechanics@tddft.org
Fri, 7 Nov 2003 20:14:42 +0100


On Friday 07 November 2003 20:05, Peter Murray-Rust wrote:

> This is where you have to be very clear about the semantics. Konrad's
> proposal omitted H in the example. Many people use H atoms and remove them

All hydrogens are there (I just checked). But I could indeed have made a file 
without the hydrogens.

Konrad.
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