[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.

Cheers
	Martin

--
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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