[CPMD-list] from younes ansari

[Younes Ansari]

Dear CPMD users

I have a very simple question: once a CPMD run is through, the
trajectories in VMD environment look to have extra line as if some 
atoms are bonded by more than their bonds by more than their valance bond. 
For example, an H atom is bonded to other three C atoms. This is the case 
for other elements.

The input file representing the molecule is originally made in 
HYPERCHEM, and then operated for appropriate coordinate in GAUSSIAN 98 where it
allows the input file for CPMD be formatted suitably.

It might be due by the representation and not really extra bonds are
involved. Could any of you give comment on this!



		
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