Hi Scott,
Last I knew, this problem still exists. It seems bondtype() was
returning the wrong values for certain things.
Specifically:
<snip>
---Judge bond type for Residue 12 with ID of 11 and Name of THR ---
The frozen atom type can only be 1, 2, 3, 7 (aromatic single), 8
(aromatic double)
Error: cannot run "/Applications/Amber11/intel-mkl/bin/bondtype -j full
-i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac" in
judgebondtype() of antechamber.c properly, exit
Interestingly enough, it grumbles at a different point to Alan's
original bug report.
I'll see what I can find. Is there any indication as to what,
technically speaking, is causing the problem?
Ben
Scott Brozell wrote:
> Hi,
>
> What is the status of the antechamber tests on Uncia uncia ?
> In particular, does the chemokine problem at the tail below still exist ?
>
> thanks,
> Scott
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Received on Tue Nov 24 2009 - 08:30:03 PST
