[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 



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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