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

[Henri Ervasti]

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 
Netherlands 

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