[gmx-users] Segmentation fault when using fourier dihedrals in v. 4.0.5.

Henri Ervasti h.k.ervasti at tudelft.nl
Tue Dec 1 11:22:56 CET 2009

Dear all,

I just upgraded from Gromacs 4.0.2 to 4.0.5. I wanted to re-run some
jobs from the previous version to see if there would be any changes in
results. I have systems with Ryckaert-Bellemans (type 3) dihedrals and
Fourier (type 5) dihedrals. The jobs with type 3 run without a problem,
but with type 5 they crash immediately. In the .log file are data only
up until the reference citing recommendations.

What might be the problem?

Kind regards,
Henri Ervasti

Dr. Henri K. Ervasti 
Delft University of Technology 
Process & Energy Laboratory 
Leeghwaterstraat 44 k. 0.30 
2628CA Delft 

e-mail: h.k.ervasti at tudelft.nl 
phone: +31 (0)15 27 86662 
fax:   +31 (0)15 27 82460

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