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

Elton Carvalho eltonfc at gmail.com
Tue Dec 8 23:51:10 CET 2015


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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