Hi Tom, TRR files contain velocities for individual atoms as a function of time, which is all the velocity information there is in an MD simulation. You can reduce that information to rotation about a principle molecular axis, or rotation with respect to the simulation box, or whatever you need.
MZ On Thu, Aug 4, 2011 at 4:08 PM, Tom <dna...@gmail.com> wrote: > Dear Gromacs User, > > Gromacs *trr file has the velocities. They are for translational motions. > But how can we get the angular velocities? > > Thanks for the information! > > Tom > > -- > 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 > -- 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