[gmx-users] Re:Indexing specific atoms

[shayamra at post.tau.ac.il]

Hello Parthiban,

Can you elaborate more on the 'wrong answer'?
Perhaps the following link can shed some light on the 'wrong' answer:
http://lists.gromacs.org/pipermail/gmx-users/2009-March/040276.html
[Deals with g_dist and PBC]

Regards,
-Shay

Quoting parthiban at ncbs.res.in:

> Hello,
>
> Can anyone tell, how to index two specific atoms, (one form protein and
> one from ligand)
> eg; 440th atom of protein & 450th atom of small molecule or OED of small
> molecule.
>
> My second question is:
> how to calculate the distance b/w these two atoms.
>
> i tried g_dist by including the indexed file with this, but the graph
> displays a wrong answer.
>
> thanks
> In advance.
>
> Parthiban.
>
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