[gmx-users] Segmentation fault in g_sas with bigger probe

[Francesco Carbone]

Dear Gromacs users,

I'm trying to see the part of a protein that are accessible to an average
size antibody and to do that I'm calculating the Solvent Accessible Surface
Area using a bigger probe (-probe 1.5 ).
The problem is that every time (and with different machines) I have
"Segmentation fault(core dumped)".

I can run g_sas (4.6 and 4.6.7) with -probe up to 0.6, but after that I got
the error.

Is it a machine problem (memory allocation ) or something else?

Best regards and thank you