Thank you, Dan, for the reply. It solved my problem.
*Atul Kumar Jaiswal*
Research Scholar
School of Computational and Integrative Sciences
Centre for Computational Biology and Bioinformatics (CCBB)
JNU, New Delhi
India.
On Mon, Aug 6, 2018 at 6:48 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> You'll need to add the 'series' keyword of the 'hbond' command to
> ensure the hydrogen bond time series data is saved, then use the
> 'lifetime' analysis command on that time series data. One thing to be
> mindful of is that since the 'hbond' command does not know a priori
> what hydrogen bonds will be present you need to actually generate the
> time series data before running the analysis. For example, this input
> will perform lifetime analysis on solvent-solute backbone hydrogen
> bonds:
>
> hbond H1 series .N,H,C,O solventdonor :WAT solventacceptor :WAT.O
> run
> runanalysis lifetime H1[solventhb] out solventhb.lifetime.dat
>
> See the manual for full details of both commands and more examples.
>
> -Dan
>
>
> On Fri, Aug 3, 2018 at 9:01 AM, ATUL KUMAR <atul44_sit.jnu.ac.in> wrote:
> > Dear Amber Users,
> > I want to calculate the solute-solvent hydrogen bond lifetime using
> > hbond command of cpptraj. Can anyone point me in the right direction?
> > Any help will be appreciated.
> > Thank you.
> >
> >
> > *Atul Kumar Jaiswal*
> > Research Scholar
> > School of Computational and Integrative Sciences
> > Centre for Computational Biology and Bioinformatics (CCBB)
> > JNU, New Delhi
> > India.
> > _______________________________________________
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> > AMBER.ambermd.org
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>
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Received on Tue Aug 07 2018 - 00:30:02 PDT
