MATLAB for GROMACS MD Analysis

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Does anyone know if it is possible to process and analyze GROMACS MD output files in MATLAB? I would like to analyze mainly velocity, forces, acceleration and solve some stochastic DEs. Thanks in advance for the advise.

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2

Hi Oama,

I usually extract the velocity as xvg file from gromacs by gmx traj, gmx energy. Then, use file = fopen('filename') to open in MATLAB, so I can use tline = fgetl(file) to read the file one line by one line.
Hope it can provide some idea for how to use MATLAB for MD post-processing.

Wade