[gmx-users] Positions and velocities from trajectory for restart

2012-07-16 Thread Inon Sharony
Good afternoon. g_traj has the option to output position coordinates (-ox) OR velocity coordinates (-ox) from an input trajectory file. The former can even be output to a trajectory file format, trr/trj/cpt (-oxt). I would like to restart a simulation using a separate set of MD

Re: [gmx-users] Positions and velocities from trajectory for restart

2012-07-16 Thread Justin Lemkul
On 7/16/12 7:19 AM, Inon Sharony wrote: Good afternoon. g_traj has the option to output position coordinates (-ox) OR velocity coordinates (-ox) from an input trajectory file. The former can even be output to a trajectory file format, trr/trj/cpt (-oxt). I would like to