[gmx-users] afm simulation

Justin A. Lemkul jalemkul at vt.edu
Sat Nov 19 17:12:24 CET 2011


I attempted to send this before, but received an error message from the list. 
Let's try again...

swati patel wrote:
> Hello Justin,
> 
> I am following your tutorial on umbrella sampling.My project is on afm 
> simulation of streptavidin-biotin complex.Till index.idx i ve created 
> all my files.But as per your tutorial you have discussed of frames 
> extraction and configurations.Since i am dealing with pull afm,so do I 
> also need to extract frames and generate configuration ??

Yes.

> Please tell me about the next step after doing npt equlibration and generating index.idx files?
>

Please follow the workflow of the tutorial.  If you are not clear on the 
underlying concepts, please spend some time in the literature.

-Justin

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

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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