[gmx-users] g_sas

Rainer Boeckmann rboeckm at gwdg.de
Tue Nov 13 16:55:47 CET 2001


Using the g_sas tool I get reasonable values for the hydrophobic surface but 0
for the total surface. Does anyone know the reason for it?
Another error occurs in do_dssp when using a tpr-file instead of a pdb-file:
"Back Off! I just backed up totarea.xvg to #totarea.xvg#
Opening library file /mnt/....
Reading frame    2000 time 2000.000   Fatal error: realloc for mat->axis_x (120
bytes, file do_dssp.c, line 123, mat->axis_x=0x0x1012be88): No such file or

Thanks in advance,

Rainer Böckmann
Theoretical Molecular Biophysics Group
Max-Planck-Institute for Biophysical Chemistry
Am Faßberg 11
D-37077 Göttingen

Tel.: +49(551)201-1141, Fax.: +49(551)201-1089
email: rboeckm at gwdg.de

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