Dear gromacs users<br><br>I used g_hbond tool for hydrogen bond analysis between protein and solvent (water molecules).<br><br>I have encountered with :<br><br><br>Select a group: 3<br>Selected 3: 'Protein'<br>Select a group: 15<br>
Selected 15: 'SOL'<br>Checking for overlap in atoms between Protein and SOL<br>Calculating hydrogen bonds between Protein (825 atoms) and SOL (22218 atoms)<br>Found 7441 donors and 7654 acceptors<br>Making hbmap structure...done.<br>
Reading frame 0 time 0.000<br>Will do grid-seach on 14x14x14 grid, rcut=0.35<br><br>Back Off! I just backed up donor.xvg to ./#donor.xvg.2#<br>Reading frame 400 time 1600.000<br>Found 27249 different hydrogen bonds in trajectory<br>
Found 33939 different atom-pairs within hydrogen bonding distance<br>Merging hbonds with Acceptor and Donor swapped<br>1/7441<b>Segmentation fault</b><br><br><br>How to fix it?<br><br>any help will highly appreciated.<br clear="all">
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