[AMBER] parmed: ff19SB to gromacs .top

From: Patricio German Barletta via AMBER <amber.ambermd.org>
Date: Mon, 30 Jan 2023 15:24:18 +0000

Hi,


While I'm able to read ff19SB topologies and write them out as GROMACS '.top' files using parmed, I do wonder if this is correct.

I noticed open issues on the parmed github repo that said the CMAP terms of this force field were giving some trouble and I don't know if I should ask about it here, or on the parmed's repo.


I'd appreciate any help.


Thanks!
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Received on Mon Jan 30 2023 - 07:30:02 PST