On Tue, May 12, 2020, Marcelo Andrade Chagas wrote:
>
>What alternative to take advantage of GAFF topology by generating T4.mol2
>file and using RESP loads?
>
>Is it possible to use antechamber and parmck with GAFF for this
>parameterization?
GAFF sounds like a natural here: ask for the gaff2 forcefield in both
the antehamber and the parmchk2 steps. See the sustiva tutorial for
how this is done:
https://ambermd.org/tutorials/basic/tutorial4b/index.html
...dac
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Received on Tue May 12 2020 - 19:00:03 PDT
