Abdul,
Can you provide input.top, min.rst and SPCE_CaCl.xvv?
Thanks,
Tyler
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------- Original Message -------
On Thursday, February 10th, 2022 at 10:00 AM, ABDUL BASIT <abdul48_sit.jnu.ac.in> wrote:
> rism3d.snglpnt --pdb rec.pdb --prmtop input.top --traj min.rst --closure
>
> kh --guv pdb --xvv SPCE_CaCl.xvv --buffer 30
>
> On Thu, Feb 10, 2022 at 11:28 PM David A Case david.case.rutgers.edu
>
> wrote:
>
> > On Thu, Feb 10, 2022, ABDUL BASIT wrote:
> >
> > > for g(r)>25, there is a high probability of calcium ions at the position
> > >
> > > where calcium is already present as a part of solute as shown in the
> > >
> > > attached figure.
> >
> > Can you say exactly what commands you are using to do the rism3d
> >
> > calculation?
> >
> > ....dac
> >
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Received on Thu Feb 10 2022 - 16:00:02 PST
