[gmx-users] using g_angle
francesca vitalini
francesca.vitalini11 at gmail.com
Wed Feb 29 11:39:23 CET 2012
Hi all,
I'm trying to use g_angle to calculate a list of dihedrals that I have
into an hand made index file (angles.ndx), which looks like
[ dihedrals ]
2 5 9 10
10 15 18 19
.....
However it produces a .xvg file where it gives me for each angle in
degrees its probability. However, what I want is instead to know the
value in degrees of each angle in the ndx file. Do you have any
suggestions apart from building an index file for each angle?
Thanks
Francesca
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