[gmx-users] Re: RDF for INVACCUO simulation

[Justin Lemkul]

On 3/9/13 12:34 AM, Keerthana S.P Periasamy wrote:
>
> DEAR ALL
>
>                  For RDF calculation in invaccuo simulation I have given the command as follows
>        ./g_rdf_d -f outputdsvaccum_md.trr -s outputdsvaccum_md.tpr -n index.ndx
>        -nopbc -o rdfss.xvg
>
>   I am getting the graph which I have attached with this mail. Can you suggest whether my command and the graph is correct and I am proceeding in the right way.
>

Attachments are not allowed to the list, but you can provide links to where 
files can be downloaded.  That said, no one is going to be able to tell you 
anything about the sensibility of your data from such a (nonexistent) 
description.  Nor is anyone likely to invest time in doing your homework for you ;)

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
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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