Hello Dear Dubbeldam,
LJ parameter for Carbon is defined as "47.8562 3.47299" in CrystalGenerator forcefield. I think this is form Dreiding. When I see the original Dreiding paper, I realized that the Carbon defined as "0.0951(47.85648) 3.8983". There is nothing wrong with the first parameter but second parameter is different.
Is this just a typo or is there a difference that I don't notice? Or do the parameters come from a different study? If so, what is the title of that work?
Thank you for your precious time.
LJ parameter for Carbon is defined as "47.8562 3.47299" in CrystalGenerator forcefield. I think this is form Dreiding. When I see the original Dreiding paper, I realized that the Carbon defined as "0.0951(47.85648) 3.8983". There is nothing wrong with the first parameter but second parameter is different.
Is this just a typo or is there a difference that I don't notice? Or do the parameters come from a different study? If so, what is the title of that work?
Thank you for your precious time.