Re: [AMBER-Developers] test request for ambertools and Snow Leopard 64 bits kernel

From: Ben Roberts <>
Date: Tue, 24 Nov 2009 11:27:37 -0500

Hi Scott,

Last I knew, this problem still exists. It seems bondtype() was
returning the wrong values for certain things.



---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
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?


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
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