look at mdin_ctrl_dat.F90 in src/pmemd/src.
they are also written to the mdout file at the beginning of the run.
On Tue, Jul 13, 2021 at 2:27 PM Maximilian Ebert <max.ebert.me.com> wrote:
> 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
> >
> >
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Received on Tue Jul 13 2021 - 13:30:04 PDT
