g_bond.c / gmx_bond.c ? Cheers,
Tsjerk On Sep 18, 2012 9:50 PM, "Mark Abraham" <[email protected]> wrote: On 19/09/2012 12:49 PM, Amit Shavit wrote: > > Hello, > > I'm relatively new to GROMACS, and I need ... The easiest way to learn how to use the information in the .tpr is to work by analogy from an existing tool that has to parse the bonding information, preferably in a similar way. I just can't think of one that really looks at the bonding topology, rather than using a set of atoms belonging to a group, residue or molecule. Why do you want the bonding information? Maybe you don't need it... Mark -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-u... -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
