On Mon, Feb 08, 2010, Neil Henson wrote:
> With AmberTools 1.3 compiled with gcc/gfortran/g++ 4.4.2 .
>
> $ cat water.pdb
> ATOM 1 O WAT 1 8.447 18.490 21.686 1.00 0.00
> ATOM 2 H1 WAT 1 8.923 18.731 20.892 1.00 0.00
> ATOM 3 H2 WAT 1 9.105 18.526 22.380 1.00 0.00
>
> $ sleap
> [gtkleap]$ source leaprc.amoeba
> [gtkleap]$ loadoff amoeba_wat.off
> [gtkleap]$ z=loadpdb water.pdb
> [gtkleap]$ saveamoebaparm z z.top z.xyz
> Program received signal SIGSEGV, Segmentation fault.
Works OK for me using gcc 4.4.0 on MacOSX 10.5. I have an updated source
code, however. It would be great if someone else with a "raw" 1.3 files
could indicate whether or not they also see the error.
....dac
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Received on Mon Feb 15 2010 - 13:30:02 PST
