Hi,
I'm afraid I have another one, this time in transformWatershell of
actions.c. Again, I found this one with PSF/DCD input. The
problematic lines are
buffer = getArgumentString(argumentStackPointer, NULL);
if (buffer != NULL)
info->solventMask = processAtomMask(buffer, action->state);
else
info->solventMask = processAtomMask(":WAT", action->state);
safe_free(buffer);
The problem is obviously that if no solvent mask is given by the user
the code assumes :WAT residues by default. I have :TIP3 in my PSF
file which will lead to an unallocated info->solventMask and a segfault
later in the code. I think the better solution would be
buffer = getArgumentString(argumentStackPointer, NULL);
if (buffer != NULL)
info->solventMask = processAtomMask(buffer, action->state);
else
info->solventMask = state->solventMask;
safe_free(buffer);
In any case, the code should check if info->solventMask actually points
somewhere.
Cheers,
Hannes.
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Tue Feb 23 2010 - 02:00:03 PST
