On Fri, Sep 30, 2016 at 2:43 PM, Xiaoyu Wang <xwang181.hawk.iit.edu> wrote:
> Hello,
>
> I read the page on Amber website which describes how to read the prmtop
> file. However, I found a difference of what you describe there and the
> actual file in the pointer sector. There, you said, 32 elements are
> specified. However, in the actual prmtop file I generated, there are only
> 31 elements.
The last element is optional and may not be present (I think it's only for
LES topologies).
>
> Your website describes the Amber 7 and now Amber 16. So what has been
> changed between these two versions?
>
The prmtop format spec has not changed since Amber 7.
HTH,
Jason
--
Jason M. Swails
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Received on Fri Sep 30 2016 - 13:00:03 PDT
