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