Hi,
If you want data on each individual hydrogen bond detected you need to
use the 'series' keyword (optionally with the 'uuseries' and/or
'uvseries' keywords) to tell cpptraj to generate a data set for each
detected hydrogen bond; these sets will have a 1 every time the
associated hydrogen bond is present and 0 when not. See the manual for
full details.
-Dan
On Tue, Oct 8, 2019 at 2:40 AM shivangi agarwal
<shiviagarwalpharma.gmail.com> wrote:
>
> Thanks
> But there is no such command to write H bond interactions
>
> On Tue, Oct 8, 2019 at 11:53 AM Elvis Martis <elvis_bcp.elvismartis.in>
> wrote:
>
> > Hello
> > You may want to look at this tutorial
> > http://www.amber.utah.edu/AMBER-workshop/London-2015/Hbond/
> > Best Regards
> >
> >
> >
> > On Tue, 8 Oct 2019 at 11:51, shivangi agarwal <
> > shiviagarwalpharma.gmail.com>
> > wrote:
> >
> > > Hello all
> > >
> > > Is there any tool available which can write H-bond interactions of each
> > of
> > > the frame generated from MD trajectory?
> > > Like we have H-bond analysis function in VMD but it write no of hydrogen
> > > bonds for each frame.
> > > I want name of residues which are showing H-bond interactions for each
> > > frame.
> > >
> > >
> > >
> > >
> > >
> > >
> > > With regards
> > > Shivangi Agarwal
> > > _______________________________________________
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> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> > _______________________________________________
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> > AMBER.ambermd.org
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> >
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Received on Thu Oct 10 2019 - 08:30:02 PDT
