Re: [AMBER] Where are the parameters for the SCREEN RADII section in prmtop

From: David A Case <>
Date: Wed, 7 Jul 2021 16:26:07 -0400

On Wed, Jul 07, 2021, Maximilian Ebert wrote:

>For GB in AMBER the screen/radii section in prmtop files is necessary in
>some modes. Where do I find the parameters in $AMBERHOME/dat to put into
>these sections? I simply can’t find the origin of the data if the general
>born screening parameters.

You can get these by using the "changeRadii" command in parmed.

...good luck...dac

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Received on Wed Jul 07 2021 - 13:30:02 PDT
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