[gmx-developers] Bug in trnio.c ?

Campbell Millar c.millar at elec.gla.ac.uk
Thu Jul 1 12:15:31 CEST 2004

Hi Folks,

I have been modifying some bespoke brownian dynamics code to generate 
gromacs trajectories and have run into some problems with the trn 
header code when reading trajectories.

In do_trnheader (line 110 of trnio.c ) the float precision is 
calculated using sh->natoms. However, in the gromacs-3.2.1 source, 
natoms is not read until after the precision check which causes errors 
from gmxcheck and gmxdump due to the fact that sh->numatoms is 

Simple fix is to move line 115 ( *bOK=*bOK && do_int( sh->natoms ); ) 
to line 105 following the force vector read.


Dr Campbell Millar,
University of Glasgow,
Device Modelling Group,
Oakfield Avenue,
Glasgow G12 8LT
tel: +44 141 330 4792  fax: +44 141 330 4907

"Diplomacy is the art of saying 'nice doggy', till you can find a rock"
Larry Niven.
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