Hi,
You can't do this directly with ptraj, but you can do it with cpptraj.
Just calculate a vector perpendicular to the plane defined by the TRP
indole atoms for each residue using two 'vector corrplane' commands,
then use the 'vectormath' analysis command to calculate the angle
between those vectors, e.g.
vector T1 corrplane <mask1>
vector T2 corrplane <mask2>
vectormath vec1 T1 vec2 T2 dotangle out T1-T2-angle.dat
Hope this helps,
-Dan
On Sun, Dec 20, 2015 at 2:12 AM, Yew Mun Yip <yipy0005.gmail.com> wrote:
> Hi, I wish to ask if there are any ways to use ptraj to calculate the interplanar angle between 2 Trp residues?
>
> Thanks. :)
>
> Yip Yew Mun (Mr) | PhD Research Scholar | Division of Chemistry & Biological Chemistry
> School of Physical & Mathematical Sciences | Nanyang Technological University | Singapore 639798
> Tel: (+65) 97967803 | Email: yipy0010.e.ntu.edu.sg | GMT+8h
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--
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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
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Received on Mon Dec 21 2015 - 09:00:05 PST
