I'm about to start using force field a99SB-disp for proteins. For a
description of what it is, see here:
https://www.pnas.org/content/115/21/E4758
Now, what if I study membrane-bound receptors that interact with synthetic
ligands. Normally, we use force fields lipid17 and gaff2. But I assume
they've been developed with the idea that ff14SB would be used for
proteins. Now that I'm switching to a99SB-disp, how would I go about
parameterizing lipids and ligands? How safe would it be to use lipid17 and
gaff2?
Any ideas are most welcome.
Thanks.
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Received on Tue Mar 17 2020 - 01:30:01 PDT
