[Question] Reference for Tinker+08 parameters
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Hi!
Is there a reference for the Tinker et al parameter values with all the digits used in the code, for instance
there?
In the publication, the numbers are rounded to a couple of digit, consistent with those of the code.
Thank you!
HI @borisbolliet, that's a good question. You'll notice that the fsigma()
function used in the code does not quite match the one presented in Tinker+08 (Eq. C2). I have factored out the sigma**-f
from inside the brackets. Thus, the given numbers in the code are computed from the table in Tinker+08, and use a higher precision so as to reproduce those results more closely.
I cannot remember if I computed these new values myself, or got them from a code that Tinker provided at some point.
Hi Steven, thanks a lot! I am very sorry I hadn't closed this before !