[gmx-users] Distance between atom A and the nearest image of atom B

Michael Cristòfol Clough michaelcristofol at gmail.com
Wed Dec 9 11:27:35 CET 2015


Hello Elton,

That was very helpful.

Thank you,

Michael

On 8 December 2015 at 23:50, Elton Carvalho <eltonfc at gmail.com> wrote:

> Hello, Michael,
>
> This is covered in the file src/gromacs/gmxlib/pbc.c in the gromacs
> distribution.
>
> On Sun, Dec 6, 2015 at 7:16 AM, Michael Cristòfol Clough <
> michaelcristofol at gmail.com> wrote:
>
> > Hello everyone,
> >
> > I'm writing a little program and I want to calculate the distance between
> > atom A and the nearest image of atom B. I imagine a function is already
> > implemented but I can't find it, could anybody tell me what it's called?
> >
> > Thank you in advance,
> >
> > Michael
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>
> --
> Elton Carvalho
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