Re: [AMBER] extra_pts.f

From: case <>
Date: Fri, 8 Jul 2011 18:07:22 -0400

On Fri, Jul 08, 2011, 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 Fri Jul 08 2011 - 15:30:04 PDT
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