[gmx-users] Can not read/write topologies to file type trr

David van der Spoel spoel at xray.bmc.uu.se
Mon Jan 28 21:32:18 CET 2008


Martin Höfling wrote:
> Hi all, 
> 
> a short simulated-annealing simulation crashes with:
> 
> Program mdrun, VERSION 3.3.2
> Source code file: gmxfio.c, line: 784
> 
> Fatal error:
> Can not read/write topologies to file type trr
> 
> I read the a bit the sourcecode of and it seems as if it does sth like 
> determining and setting the do_read/write functions for file I/O.
> 
> Any idea where this could come from?

try a clean compile (make distclean; configure and so on).

> 
> Best
>         Martin
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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