On Fri, May 24, 2013, Jacob Monroe wrote:
>
> I have amber11 with AmberTools 1.4 installed on CentOS. I have not had any
> trouble with any other molecules, only this one. The sqm.in file is
> attached if you would like to try and reproduce the error.
As with the earlier case, your file works fine for me. Did you run sqm by
itself, or only as a part of antechamber? Best advice beyond that is to
upgrade to the current version, which is two releases beyond what you have.
...dac
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Received on Sat May 25 2013 - 06:00:03 PDT
