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.
Mark
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