On Mon, Dec 30, 2013, Jonathan Saboury wrote:
> I have a molecule that is 282 atoms and it seems that it runs out of memory
> at atom 65 which is unusual because I have done a 88 atom molecule before
> without errors.
Can you provide more information? What makes you think that sqm ran out of
memory? Why at atom 65? 282 atoms is a very large number to be using with
antechamber and sqm: are you sure that you should not be breaking your
molecule into fragments?
You might post your sqm.in file (or input pdb file). Without more
information, people on the list cannot be of much help here.
...dac
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Received on Tue Dec 31 2013 - 05:30:03 PST
