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Seg-fault in fda rerun using large index group #52

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BerndDoser opened this issue Jul 19, 2023 · 0 comments

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bug

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BerndDoser commented Jul 19, 2023

Using a large index group (ndx-file) with indices larger than 1.000.000 the fda rerun aborts with:

ResidueRenumber: yes
Vector2Scalar: norm
Pairwise interactions selected: all
Pairwise forces for groups: Protein and Protein
Residues will be renumbered.
Binary mode: 0
Threshold: 1e-10
Normalize punctual stress per residue: 0
Ignore missing potentials: 0
double free or corruption (out)

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BerndDoser added the bug label

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