Hi Shahid,
On 21/4/2011, at 6:31 a.m., M. Shahid wrote:
> Hi Ben,
>
> I write you directly because the question is not about MTK or Amber but gaussian g03.
This is still an MCPB / MTK++ question, dealing with the compatibility of MCPB with different QM packages.
Incidentally, if your question were about the operation of Gaussian, your best bet would have been to contact Gaussian technical support, or, alternatively, the CCL mailing list,
http://www.ccl.net.
> I sucessfully built the sidechain and large models following the manual, but then I came to know that
> gaussian program is required to complete parameters building with mcpb which I don't have.
> so can't I go further without using gaussian?
To the best of my knowledge, that's correct, in that MCPB can't generate input for, or parse output from, any other QM package. But other MTK++ developers may be able to offer an alternative.
Regards,
Ben
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Received on Thu Apr 21 2011 - 07:30:07 PDT
