GROMACS version: 5.1.5
Hi everyone, I want to generate dcd and veldcd from trr file for some analysis. As per my knowledge, trr file contain both coordinates and velocity information. So can you please help me to seperate velocity from coordinates. Also , please help me if there are any flags available for writing velocity and coordinates in two different trr file during simulation. Regards Santanu
MDTraj has a tool called mdconvert, which converts between different trajectory formats. You might find it useful.
Thank you for your response. I’ll try.