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