[gmx-users] g_select

Justin A. Lemkul jalemkul at vt.edu
Wed Nov 30 16:33:55 CET 2011



mohammad agha wrote:
> Dear Prof.
> 
> I have a system consists of 10 micelle after production simulation. How 
> can I select a micelle with 92 monomer?
> I know that I should use from g_select, but I don't know which argument 
> is proper for me. I also checked -select help in g_select program.
> Please help me.
> 

If you just need an index group with a single micelle, use make_ndx and choose 
the residue numbers that comprise the micelle.  g_select can do the same, but 
this tool is better suited for more complex operations and creation of dynamic 
indices.

-Justin

-- 
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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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