I forgot to mention that the bond info should be in the .tpr file somewhere as it was processed from the topology and I think gmxdump will also show the connectivities.
On 2012-09-18 10:49:25PM -0400, Amit Shavit wrote: > Hello, > > I'm relatively new to GROMACS, and I need to write some of my own analysis > tools using the template.c file. > I have been able to figure out most of the structure of it, and how the C > Structs are used. That is to say, I can successfully retrieve particle > positions, residue IDs, residue names, etc. > > The one piece of information that I can't seem to be able to retrieve is > bonding information. Is there a way for me to get this? I should mention > that I run the program by inputting a traj.trr and topol.tpr files, so I > have access to the information saved in those files. > > Thanks! > Amit > -- > 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 -- ================================================================== Peter C. Lai | University of Alabama-Birmingham Programmer/Analyst | KAUL 752A Genetics, Div. of Research | 705 South 20th Street p...@uab.edu | Birmingham AL 35294-4461 (205) 690-0808 | ================================================================== -- 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
