I'm searching for free software for the QMMM calculations of protein-ligand complexes. Kindly suggest.
Have a look at Article An Open-Source, Python-Based Redevelopment of the ChemShell ...
Orca now implements the ONIOM QM/MM approach (e.g., see https://www.orcasoftware.de/tutorials_orca/multi/basics.html?highlight=oniom)
Sunidhi Bhatt Hi
Hope you doing well
You can use Chem3D software a module of ChemDraw for QM/MM calculations.
With all due respect QM/MM does not exist, but it is not your fault, because the Mechanics should come off of these two.
Atoms are smallest sentient entity of our living world, thus, it is not mechanics.
Although up to few years ago, I thought the same as you, that an atom must carry proton/neutron, electron/positron, matter antimatter , quarks... Until i found out that science never observed them. All the calculation is just prediction of probability, and it is not real. Same as standard modeling of atom still is theory...Read This short eyeopener...best wishes
With all due respect QM/MM does not exist, but it is not your fault, because the Mechanics should come off of these two.
Atoms are smallest sentient entity of our living world, thus, it is not mechanics.
Although up to few years ago, I thought the same as you, that an atom must carry proton/neutron, electron/positron, matter antimatter , quarks... Until i found out that science never observed them. All the calculation is just prediction of probability, and it is not real. Same as standard modeling of atom still is theory...Read This short eyeopener...best wishes
Javad Fardaei, this might be true but most of the scientific community is working on this concept of mechanics.
Sunidhi Bhatt You're absolutely correct, but ask, what has been done? Nothing in last century, we are same place as we were ....
Atoms are smallest sentient unit of our universe, and it is not mechanic
Article Title: Science is wrong on…Light & Photon
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