Dear Dan,
Thank you for your reply. Got it.
Best regards,
Rui
On Tue, Feb 4, 2020 at 12:42 PM Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> The 'hbond' command can be told to only analyze specific atoms via
> several different masks; there is no need to strip out atoms
> beforehand.
>
> E.g. 'hbond .N,H,C,O' will only look for hydrogen bonds with atoms
> named N, H, C, and O. See the manual for full details and examples.
>
> -Dan
>
>
> On Tue, Feb 4, 2020 at 10:22 AM Rui Chen <rchen6.ualberta.ca> wrote:
> >
> > Hello,
> >
> > Good morning. When I perform H-bond analysis, do I need to remove the
> ions
> > form the trajectories or just specify the backbone atoms to ignore the
> > ions? Thank you.
> >
> > Best regards,
> > Rui
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Received on Tue Feb 04 2020 - 13:00:01 PST
