[gmx-users] About Deutrium Order Parameter

[Justin Lemkul]

On 3/26/13 11:24 AM, vidhya sankar wrote:
> Dear Justin Thank you for your Previous reply,
>
>                                                                                       I want to calculate  Variation of deuterium order Parameter With respect to Time  for Entire Trajectory and Hydration Number of Phosphate oxygen For My Entire Trajectory .
>
> Thereby I can Identify the Equilibration Time For My Membrane
> Is There is Any Tool in gromacs?
>

I would suggest you consult the manual, Chapter 8 and Appendix D, where all the 
analysis tools are described in full.

-Justin

-- 
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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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