[AMBER] If a non-standard force field is used for proteins, how would you approach parameterization of lipids and ligands?

From: Homeo Morphism <homeo.morphizm.gmail.com>
Date: Tue, 17 Mar 2020 11:24:28 +0300

I'm about to start using force field a99SB-disp for proteins. For a
description of what it is, see here:

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

Any ideas are most welcome.

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Received on Tue Mar 17 2020 - 01:30:01 PDT
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