[gmx-users] how to compute charged carried by a single residue

[Mark Abraham]

Hi,

You open your topology file in a text editor and see what it is :-)

Mark

On Tue, Dec 20, 2016 at 9:12 PM Amir Zeb <zebamir85 at gmail.com> wrote:

> Hello All,
>
> I want to know the total charge carried by a specific residue during or
> after simulation. Please let me know how may I do it? I don't know the
> exact command line
>
> Thanks
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