[gmx-users] rdf

[Justin Lemkul]

On 11/9/19 1:03 AM, shakuntala dhurua wrote:
> I am facing proble while calculating rdf , after generating xtc file i used
> flag gmx rdf -s .tpr -f .xtc -n .ndx -o .xvg then from index data i was
> selected group1 and group2 but there it was written parsed group1 and
> group2. please suggest me to solve this problem.

Please provide the actual command and relevant screen output, including 
any error message. What you have posted doesn't even sound like an 
error. You chose two groups for a calculation, which were then parsed by 
the rdf program.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
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jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

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