[gmx-users] g_covar ends up complaining from a Segmentation Fault

[Peyman Yamin]

Hello everybody,

in an attempt to calculate the free-energy surface of a peptide, i
followed exactly the procedure described in >> http://www.gromacs.org/Documentation/How-tos/Dihedral_PCA
  <<< except that g_angle seems to need no -s option in my gromacs
version(4.0.5).
Everything goes fine till the g_covar part where I get the
Segmentation fault! I don't have the slightest idea what this error
might want to convey!
I have had the seg. fault error previously, where I found out that it
is caused by some miss-formatting in the files I edited manually. This
time I edited nothing myself though and all files were made by GMX
programs themselves!

Would be nice if I could get some comments, in case anyone has
encountered this before.

Thanks in advance,
greetings

Peyman


--
Peyman Yamin
Computational Structural Biology Group
Institut fuer Strukturbiologie und Biophysik (ISB)
ISB-3: Strukturbiochemie
Forschungszentrum Juelich
D-52425 Juelich
Tel:    (49)-2461-61-4230
Fax:    (49)-2461-61-2023


------------------------------------------------------------------------------------------------
------------------------------------------------------------------------------------------------
Forschungszentrum Juelich GmbH
52425 Juelich
Sitz der Gesellschaft: Juelich
Eingetragen im Handelsregister des Amtsgerichts Dueren Nr. HR B 3498
Vorsitzende des Aufsichtsrats: MinDir'in Baerbel Brumme-Bothe
Geschaeftsfuehrung: Prof. Dr. Achim Bachem (Vorsitzender),
Dr. Ulrich Krafft (stellv. Vorsitzender), Prof. Dr.-Ing. Harald Bolt,
Prof. Dr. Sebastian M. Schmidt
------------------------------------------------------------------------------------------------
------------------------------------------------------------------------------------------------