Re: [gmx-users] Output velocities and forces for each step?

Is there a way to split the coordinates, velocities, and forces into separate .trr files? -- Mohd Farid Ismail26.01.2018, 15:00, "Mohd Farid Ismail" :That does it. Thank you for your quick reply. -- Mohd Farid Ismail26.01.2018, 13:19, "Shrinath Kumar"

Re: [gmx-users] Output velocities and forces for each step?

That does it. Thank you for your quick reply. -- Mohd Farid Ismail26.01.2018, 13:19, "Shrinath Kumar" :1. No, they are written at whatever frequency you specify in your mdp file.Look at the nstxout, nstvout and nstfout options. You can choose to writethem to the

Re: [gmx-users] Output velocities and forces for each step?

1. No, they are written at whatever frequency you specify in your mdp file. Look at the nstxout, nstvout and nstfout options. You can choose to write them to the .trr file at each step if you wish. 3. You can use gmx traj -ov -of On 26 January 2018 at 04:55, Mohd Farid Ismail

[gmx-users] Output velocities and forces for each step?

 Hi, I don't understand the documentation about the .trr file. The manual mentions that the .trr file contains the coordinates and velocities, and optionally the forces. A few quetions:1) Does this mean that the velocities are written at each step just like the coordinate, and that the information