One way would be to save the topology and coords (or pdb or mol2) in leap,
read them into cpptraj and strip all but the ions (e.g. ‘strip !(Na+)’),
write to output pdb (‘trajout ions.pdb’).
-Dan
On Tue, Jun 9, 2020 at 7:14 PM HOCHEOL LIM <ihcdatabank.gmail.com> wrote:
> Dear All,
>
> Hello,
> I am generating ion molecules with addions2 command. I would like to
> extract only ion molecules and save it as pdb format.
>
> What should I do?
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Received on Wed Jun 10 2020 - 06:00:05 PDT
