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
