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 - 10:30:03 PST
