On Thu, Jan 13, 2022, Burns Casamayor, Violeta wrote:
>
>I'm trying to run a set of simulations using CHARMM36 ff's in Amber20. I've
>set up my systems using charmm-gui server and downloaded the outputs for
>AMBER with Charmm36, however i can't seem to find a way to add CMAP and
>NBFIX terms to the .parm7 file. Does anyone know how to do this?
If you haven't yet done so, this is a good question to ask the CHARMM-GUI
folks. They are committed to providing good tools for CHARMM/AMBER
simulations, and may already know what to do.
Of course, others on this list may be able to help, just not me....
...dac
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Received on Thu Jan 13 2022 - 13:00:02 PST
