How can I load a gromacs trajectory file (*.xtc) in the matlab?
15 views (last 30 days)
Show older comments
Dhruv Kumar Chaurasiya
on 16 Mar 2023
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)
Accepted Answer
Sandeep
on 30 Mar 2023
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
0 Comments
More Answers (0)
See Also
Community Treasure Hunt
Find the treasures in MATLAB Central and discover how the community can help you!
Start Hunting!