On Tue, Aug 10, 2010, Guoxiong Su wrote:
>
> At first I try to use Amber 10 to create the parameter and topology file of
> my organic molecule, however mopac in Amber 10 can only handle 200 atoms.
> Then I used AmberTools 1.4 which use SQM to calculate the energy and the
> charges, but it came with memory problem. So I am wondering that can I
> compile the latest version of mopac (mopac 2009), which can deal with more
> than 10000 atoms, with the Amber 10 or AmberTools 1.4? Thank you very much
> and hope for your reply.
You can certainly use mopac2009, although some work will be required if you
want antechamber to automatically read its output.
....dac
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Received on Wed Aug 11 2010 - 09:30:06 PDT
