Dear Dmytro Kovalskyy,
The ARG CZ is at the end (tip of the ARG), what does the distances look like
over time? A floppy long amino acid? And your actual distance calculation?
Is it from a graphics/pdb file, or how is it measured?
Stephan
Original-Nachricht
> Datum: Tue, 26 Jun 2012 16:14:31 -0500
> Von: Dmytro Kovalskyy
> An: gmx-users@gromacs.org
> Betreff: [gmx-users] wrong distances with g_dist
> Hi,
>
> I try to calculate distance between two atoms with g_dist. Somewhat I get
> distance lower than actual.
> Here there are coordinates of the two atoms (PDB format)
>
> ATOM702 CZ ARG X 45 5.930 9.230 41.740 0.00 0.00
> ATOM 2751 CA PHE X 177 41.710 45.000 27.180 0.00 0.00
>
> And the distance I get from g_dist is 4.6260725 nm while the actual is
> 5.265
> nm.
>
> What the problem can be?
>
> Dmytro
>
>
>
>
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