[gmx-developers] angle restraints

[David Mobley]

Berk,

> 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?

David
>
> Berk.
>
>
> _______________________________________________
> gmx-developers mailing list
> gmx-developers at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-developers
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-developers-request at gromacs.org.
>