Re: [AMBER] TLEaP question

From: Carlos Simmerling via AMBER <amber.ambermd.org>
Date: Thu, 7 Dec 2023 11:07:57 -0500

different residue names should work.


On Thu, Dec 7, 2023 at 11:05 AM Matthew Guberman-Pfeffer via AMBER <
amber.ambermd.org> wrote:

> Dear Amber Community,
>
> I have a protein with two copies of the same cofactor, one in the reduced
> state and the other in the oxidized state. I have frcmod files for each
> redox state. How can I apply the reduced-state frcmod to the reduced-state
> copy of the cofactor and the oxidized-frcmod to the oxidized-state copy of
> the cofactor in the same structure?
>
> Best,
> Matthew
>
>
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Received on Thu Dec 07 2023 - 08:30:02 PST
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