[gmx-users] which tool returns vectors?

[Justin Lemkul]

On 4/23/13 9:27 AM, Steven Neumann wrote:
> Dear Users,
>
> Does any one know which command is capable to return the vector of a
> specified group of 2 atoms (e.g. C=O in protein) over the simulation time?
>

Not directly, but you can probably use g_traj and post-process the coordinate 
information.

-Justin

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================