[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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