[gmx-users] index file

[Justin A. Lemkul]

Elisabeth wrote:
> Dear gromacs users,
> 
> I am planning to produce C-C rdf for my system and I have difficulty 
> making the index file with a group of all C in the system, [Carbon] . 
> .If there are thousands of atoms in the system do I have to go through 
> the top file and note down C atom numbers and use those numbers to make 
> a group in the index file? What is the easiest way of doing this using 
> make_ndx features..
> 

Using "a C*" at the make_ndx prompt should accomplish what you want.  Type 
"help" at the prompt for more advanced examples.

-Justin

> Thank you for your hints..
> 
> 

-- 
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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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