Re: [AMBER] Regarding No of Hydrogen bonds (vs) Residue wise

From: Daniel Roe <>
Date: Mon, 24 Aug 2015 08:40:28 -0600


If I understand what you want to do, there is not currently a way to
get this plot directly in cpptraj. What you would have to do is save
the time series for each hydrogen bond with the 'series' keyword, then
add up # of hydrogen bonds involving the same residue in an additional
step. Alternatively you may be able to use pytraj, the python
interface to cpptraj to do this in one step.

Hope this helps,


On Sun, Aug 23, 2015 at 10:15 PM, Garisekurthi Satheesh
<> wrote:
> Dear Amber Users,
> Some one please provide cpptraj command for plotting number of hydrogen
> bonds with respect to residue number.
> Please kindly give your answer.
> Thank you.
> GS
> _______________________________________________
> AMBER mailing list

Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Mon Aug 24 2015 - 08:00:03 PDT
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