Hello all, I was trying to calculate solvent mediated H-bond between a amino acid residue (Tyr) and solvent molecule present within cutoff of 0.5nm (after creating separate index) with the help of g_hbond version 4.5.3. But I am getting segmentation fault while running g_hbond. Moreover I am getting error only for this particular residue, whereas with other residues the samilar calculation is working fine. I have used the following command for the calculation:
g_hbond -f traj.xtc -s md.tpr -num hbnum.xvg -hbn hbond.ndx -g hbond.log -dist hbdist.xvg -hbm hbmap.xvg -n index.ndx Please provide your suggestions to rectify the error. -- ----------------------- *Thanks and Regards,* Bipin Singh -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
