[gmx-developers] topology and bfact problem

Martin Höfling martin.hoefling at gmx.de
Fri Feb 9 12:45:06 CET 2007

Am Freitag, 9. Februar 2007 schrieb Berk Hess:

> pdbinfo is only initialized an used when reading pdb files by some
> programs. It is not stored in a tpr file.
> Depending on which program you are modifying, you might have to allocate
> it separately.

Thanx, this was the problem. I wasn't aware that gromacs writes just default 
stuff if not initialized.
Creating allocating with the appropriate size solved my problem.


Man kann die Relativitätstheorie auf vieles anwenden. Auf das Usenet
auch, aber dann sind die Ergebnisse fürchterlich falsch.
(Nico Hoffmann in dnq)

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