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 gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
