[gmx-users] Re: restraints between two molecules

[Justin A. Lemkul]

lq z wrote:
> Thanks, Justin. How to use "index groups"? Do I do it in .mdp file or 
> use some program in tools/?
> 

Any group can be specified by name in the .mdp file, which then must correspond 
to the desired group in an .ndx file (created by make_ndx).  There are more 
details in the manual and on the Gromacs website.

-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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