[gmx-users] Re: RDF for INVACCUO simulation

Keerthana S.P Periasamy keerthanasp33 at yahoo.com
Sat Mar 9 06:34:14 CET 2013


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.

                                           Thanks in Advance

with regards
Keerthana.S.P


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