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

From: David A Case <david.case.rutgers.edu>
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


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jul 07 2021 - 13:30:02 PDT
Custom Search