[gmx-developers] angle restraints

David Mobley dmobley at gmail.com
Fri Mar 24 17:01:34 CET 2006


> Sorry, but g_angle has no sign.
> For two vectors in 3D space you can not uniquely define a sign.
> So you can not rotate them 360 degrees.
> To do that you need extra points so you can define a plane
> in which they should rotate 360 degrees.

Sorry, you're right. I don't know what I was thinking: Defining a sign
for the angle depends on viewing it from some particular direction.
Oops. Thanks.

Any suggestions on how I might be able to do this (that is, define a
plane) in a (reasonably) straightforward way in the code? Or are there
other workarounds?

> Berk.
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