[gmx-users] Segmentation fault in g_hbond

[leila karami]

Dear gromacs users

I used g_hbond tool for hydrogen bond analysis between protein and solvent
(water molecules).

I have encountered with :


Select a group: 3
Selected 3: 'Protein'
Select a group: 15
Selected 15: 'SOL'
Checking for overlap in atoms between Protein and SOL
Calculating hydrogen bonds between Protein (825 atoms) and SOL (22218 atoms)
Found 7441 donors and 7654 acceptors
Making hbmap structure...done.
Reading frame       0 time    0.000
Will do grid-seach on 14x14x14 grid, rcut=0.35

Back Off! I just backed up donor.xvg to ./#donor.xvg.2#
Reading frame     400 time 1600.000
Found 27249 different hydrogen bonds in trajectory
Found 33939 different atom-pairs within hydrogen bonding distance
Merging hbonds with Acceptor and Donor swapped
1/7441*Segmentation fault*


How to fix it?

any help will highly appreciated.
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