Hi,
Did you go through manuals? Perhaps, not. If you are using Amber 11 then
see section 6.9, page 133 of AmberTools and if you are using Amber 12 then
go to section A.8., page 528 of AmberTools manual.
In addition, you may also use VMD for same purpose.
On Tue, Aug 13, 2013 at 12:07 PM, anu chandra <anu80125.gmail.com> wrote:
> Dear Amber users,
>
> I am working with protein-ligand interaction. I would like to see the
> number of hydrogen bonds ligand make with protein along the simulation
> trajectories. Is there a tool in PTRAJ/CPPTRAJ to do such a calculation?.
> Waiting for your valuble reply.
>
>
> Thanks in advance
>
> Regards,
> Anu.
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>
--
With best regards
*******************************************************************************************************************
Kshatresh Dutta Dubey, PhD
Post Doctoral Fellow
Indian Institute of Technology Kanpur
Kanpur, India
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Received on Tue Aug 13 2013 - 01:30:07 PDT
