Thanks, but is there any text file with the parameters or do they exist only within the parmed code?
> On Jul 7, 2021, at 4:26 PM, David A Case <david.case.rutgers.edu> wrote:
>
> 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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jul 13 2021 - 11:30:02 PDT
