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
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