[gmx-users] Get some specific frames of traj

[Shima Arasteh]

Dear gmx users,

I have a 10 ns simulation trajectory, and like to get some particular frames of it. In fact I want to find the frames in which a specified coordinate is filled with a water molecule, and then pick that frame as an initial structure for the next steps.

Is there any script implemented in GROMACS tools or any advantageous tool in this approach?

Thanks in advance for your suggestions.

 
Sincerely,
Shima