Hi,
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,
-Dan
On Sun, Aug 23, 2015 at 10:15 PM, Garisekurthi Satheesh
<gschembio.uohyd.ac.in> 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
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Aug 24 2015 - 08:00:03 PDT
