[gmx-users] make index group

[Justin A. Lemkul]

Mark Abraham wrote:
> Bing Bing wrote:
>> Dear all,
>> I'm trying to perform order parameter analysis. I 've use :-
>> make_ndx_d -f xxx.tpr -o sn1.ndx
>>
>>  > 15 & a Cxx |.......
>>  >q
>>
>> i've got this error :-
>> Group 15 not exist.
> 
> So use a group that does exist. If you're copying an index group 
> creation recipe from some tutorial, go back to that and understand what 
> this step is designed to achieve, and then adjust it to suit your new 
> context.
> 

In addition to Mark's advice, please see the wiki page for g_order; it explains 
exactly how to create the necessary index groups.  If you're merging groups on 
into one, as it appears you are, you're doing it wrong.

http://oldwiki.gromacs.org/index.php/g_order

-Justin

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================