[gmx-users] using g_angle
Mark.Abraham at anu.edu.au
Wed Feb 29 12:53:57 CET 2012
On 29/02/2012 9:39 PM, francesca vitalini wrote:
> 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
mk_angndx might have helped.
> 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?
g_angle -ov -all with each angle in its own group.
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