There were a few bugfixes done to g_hbond since 4.5.3. Try a more recent version.
Erik 23 okt 2012 kl. 17.41 skrev bipin singh: > 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 ----------------------------------------------- Erik Marklund, PhD Dept. of Cell and Molecular Biology, Uppsala University. Husargatan 3, Box 596, 75124 Uppsala, Sweden phone: +46 18 471 6688 fax: +46 18 511 755 er...@xray.bmc.uu.se http://www2.icm.uu.se/molbio/elflab/index.html -- 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