[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
--
========================================
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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