Hi! You can do an MD analysis, for instance find mean energies, RMSD, angles and so forth. But you cannot do the real MD run/simulation. But you can run an MD simulation in professional (free) software (for instance Gromacs) from Python. I can make a tutorial on this, if you like.
amazing stuff, looking forward to your videos
Great to see such an amazing package!
Is there anyway to performance MD Simulation in Jupyter environment?
Hi! You can do an MD analysis, for instance find mean energies, RMSD, angles and so forth. But you cannot do the real MD run/simulation. But you can run an MD simulation in professional (free) software (for instance Gromacs) from Python. I can make a tutorial on this, if you like.
@@haraldsrudundervisning of course! will be waiting for your video