Dear All, My martini system has 3 particles in a chain, rest is martini water, and I’m only interested in the bond length distribution of particle 1&2, 1&3 and 2&3, and I execute the following: g_bond -f npt.xtc -n index.ndx -o bonds.xvg
I get the following error: Total number of samples : 153 Mean : 0.501255 Standard deviation of the distribution: 0.152864 Standard deviation of the mean : 0.0123583 Back Off! I just backed up bonds.xvg to ./#bonds.xvg.1# ------------------------------------------------------- Program g_bond, VERSION 4.5.5 Source code file: gmx_bond.c, line: 207 Fatal error: No distribution... (i0 = 999, i1 = 1)? ? ! ! ? ! For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors Upon inspecting my index files, I see that it defines my 3 particle group as: [ O1 ] 1 2 3 Then I changed the particle group index file to [ O1 ] 1 2 2 3 1 3 And I’m still getting the same error. Any insights? Thanks, Xu Huang -- 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
