GROMACS version: 24.3
GROMACS modification: No
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Hello!
I currently work in a small biotech startup and I am trying to find a completely free and legal way or running some light Molecular Dynamics for internal research. With this in mind, I was experimenting at home with different tools and I found some success with GROMACS, GROMACS implementation of CHARMM36 force field (force field only, nothing else), AmberTools and Acpype (these last two for parametrization of exotic things).
I know that GROMACS, AmberTools and Acpype can be used in the startup, but I could not find explicit licensing info regarding the CHARMM36 ff from Mackerell´s lab. I asked around, and I was told by multiple sources that it should be fine as long as I use it “as it is” or, if it needs a modification, I modify it by myself by hand at my own risk, without using any tool that requires a commercial license (like CGenFF).
Could somebody confirm if this is true? As mentioned, the use of these simulations would be strictly for internal research and it would not involve releasing any new version of any code, force field, etc.
Cheers and thank you!