[AMBER] Generating topology using tleap

From: Lucas Bandeira <bandeiralucas97.gmail.com>
Date: Tue, 1 Sep 2020 20:52:03 -0300

Dear Amber community,

I am using the RESP method for deriving charges for aromatic and
hydrocarbon molecules. I have a question when generating the topology
through tleap: I would like to use GAFF for the aromatic compound and
lipid14 for the hydrocarbons, but how could I do this? The atom types for
lipid14 and for gaff are different. When generating the .mol2 file using
antechamber, any of the possible force fields that are shown for the option
*-at* have the same atom type of lipid14. Should I modify the atoms types
by myself?

Faithfully yours,

Lucas Bandeira
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Received on Tue Sep 01 2020 - 17:00:03 PDT
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