[gmx-users] Index file

Justin A. Lemkul jalemkul at vt.edu
Mon Feb 6 14:06:46 CET 2012

Steven Neumann wrote:
> Dear Gmx Users,
> I want to create index file of my protein residues - each group 
> corresponds to different residue. Is there any option in make_ndx which 
> will allow me to do it automatically instead of typing: r 180, r 181, 
> ... r 550?

splitres 1

That will split the entire protein group (1, by default) into its residues.



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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