Hi, in a test case I've selected flexible residues in an apo protein structure within 5 Å of the known ligand binding pose and was able to successfully find the right pose in the top 10 - very nice and fast software! But setting more residues as flexible (e.g. within 10 Å) causes memory issues (e.g. segfault or munmap_chunk(): invalid pointer). I do choose a large enough box size to encompass the flexible residues. Is there anything that I can do handle more flexible residues?
Hi, in a test case I've selected flexible residues in an apo protein structure within 5 Å of the known ligand binding pose and was able to successfully find the right pose in the top 10 - very nice and fast software! But setting more residues as flexible (e.g. within 10 Å) causes memory issues (e.g. segfault or
munmap_chunk(): invalid pointer). I do choose a large enough box size to encompass the flexible residues. Is there anything that I can do handle more flexible residues?