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 <[email protected]> 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 [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 > -- 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
