[AMBER] calculating angle between to vectors

From: Vijay Achari <glycoamber.gmail.com>
Date: Wed, 11 Mar 2015 16:01:28 +0800

Dear Sir,

I would like to calculate an angle between two chains of a lipid. For
example lets say I have a lipid:

                                   C70
                                C
                             C
                          C
                        C63
(headgroup)---/
                       \
                        C52
                             C
                                  C
                                       C62

I want to calculate the angle in between the two chains. So I try to define
a vector along atos C63--C70 and C52--C62. The cpptra code I wrote is a
below:

cpptraj topology << EOF
trajin trajectory.nc

vector v1 :1.C52 :1.C62
vector v2 :1.C52 :1.C70

?? WHAT COMMAND to calculate the angle ??

EOF

I wish to get some help to know the suitable command to calculate the
angle between these vectors.

Many thanks in advance.
Regards
Vijay
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Received on Wed Mar 11 2015 - 01:30:04 PDT
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