[gmx-users] Angle group

[Dr. Vitaly Chaban]

Use g_angle and your index file must contain triples of the involved atoms.

if I remember correctly, this route provides a gaussian-type
probability distribution, i.e. not evolution vs. time.


Dr. Vitaly V. Chaban




On Wed, Jul 23, 2014 at 9:53 AM, Cyrus Djahedi <cyrusdja at kth.se> wrote:
> Hi!
> Im simulating the stretching of a cellulose fibril in the longitudinal plane. It's made up of 16 polymers chains that are 10 cellobiose units in length, and each cellobiose unit is connected through a glucosidic bond. Lets say I want to get an average value of the angle that forms between the central oxygen atom and the two flanking carbon atoms for every glucosidic bond in the fibril, how should I do this? / Cyrus
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