As these are binary files the formatting can be quite complex I would suggest using the library available here:
http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library This includes all the functions necessary to read/write these formats and is licensed under LGPL. Richard On 13/08/2012 14:48, "Jim Kress" <[email protected]> wrote: > I have written a unique MD program and want to output a full-precision > trajectory containing coordinate, velocity, and force information in a .trr > or a .trj formatted file. > > Where in the gromacs code can I find a description of the formats of these > files and an example of how they are written? > > Alternately, I can write .gro files and append the force information in the > same format as the velocity information. Will the gromacs utilities ignore > the extra information in the generated .gro files or will it cause them to > fail? > > Any advice/ suggestions would be appreciated. > > Thanks. > > Jim > > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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
