Re: [AMBER] extra_pts.f

From: <tsurma.umich.edu>
Date: Sun, 10 Jul 2011 16:47:37 -0400

Hi Case,

Thank you very much!

~Surma

On Fri, 8 Jul 2011 18:07:22 -0400, case <case.biomaps.rutgers.edu> wrote:
> On Fri, Jul 08, 2011, tsurma.umich.edu wrote:
>>
>> But, could you tell me what you meant
>> by sending in a third atom and ignoring its coordinates?
>
> I was just replying to your comment:
>
>> >> The problem that I am facing is that the code
>> >> needs three atoms for a frame (first neighbor, middle atom with EP,
>> >> third neighbor) .
>
> You will have to make big enough changes to use only two atoms to define
> the
> extra points. But if you want your section to *look* like the other
> sections,
> you could reference three atoms but only make use of two of them. (But
this
> is not required....)
>
> ...good luck...dac
>
>
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Received on Sun Jul 10 2011 - 14:00:03 PDT
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