How can I load a gromacs trajectory file (*.xtc) in the matlab?

I want to analyse the coordinates present in the gromacs trajectory files in the MATLAB but I don't know how to load the trajectory files in the MATLAB.

The format of gromacs trajectory file is *.xtc (e.g. trajectory.xtc)

[Stephen23]

https://www.mathworks.com/matlabcentral/fileexchange?q=gromacs

https://kaplajon.github.io/mxdrfile/

Answer 1

[Sandeep]

Hi Dhruv Kumar Chaurasiya,

To load a Gromacs trajectory file (*.xtc) in MATLAB, you can use the traj function from the MDToolbox MATLAB toolbox.

traj = traj('trajectory.xtc', 'topology.pdb');

The traj function will return a structure containing the trajectory data, which you can then analyze and manipulate as needed.

For alternative methods, you can refer : https://www.mathworks.com/matlabcentral/fileexchange?q=gromacs