Hi,
chamber from the AmberTools 1.5 segfaults on one of my PSF files.
Last output:
--- Found all ATOM TYPES in topology file
Gdb tells me
Program received signal SIGSEGV, Segmentation fault.
0x0807880f in get_gbradii (rs=2) at _gbradii.f:91
91 currently_bonded_atom = element
( locattype( bonded_list(1, i) ) )
Commenting out the call to get_gbradii in psfprm.f produces the output
files as expected except for the missing GB radii in the top file
(and a mangled string just above %FLAG RADII).
Thanks,
Hannes
--
Scanned by iCritical.
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Received on Wed Jan 18 2012 - 03:00:03 PST
