On Tue, Apr 06, 2010, Asfa Ali wrote:
> However as given in the tutorial,
>
> mopac.in, mopac.out, mopac.pdb
> are not created instead sqm.in and sqm.out are created. Is my protocol
> correct? Moreover how to analyse sqm.in and sqm.out ?
Starting with AmberTools 1.3, mopac has been replaced with sqm. It should
be straightforward to understand what is in sqm.out.
(Developers: who wants to update the tutorial?)
...dac
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Received on Tue Apr 06 2010 - 05:00:03 PDT
