> 'addAtomTypes { { "V" "V" "sp3" } } '. it seems V can not be =
> recognized as an element name, ' atom type V - unknown element V' was =
> printed in the leap.log file.
This is because leap thinks the symbol for the element is 'Va'
instead of 'V':
% grep -i vanad *.[ch]
elements.c: { "Va", VANADIUM },
You can use 'Va' for a workaround, or change that line in elements.c
and recompile/reinstall.
Leap should not coredump in any case, but maybe this will do the
trick.
Bill
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Received on Thu Mar 18 2004 - 18:53:00 PST
