[gmx-users] Re: RDF calculation
Keerthana S.P Periasamy
keerthanasp33 at yahoo.com
Thu Mar 7 09:54:34 CET 2013
Dear all
I have two discrete residues which are being connected together by sulfur atom in each residue. I need to find how the density varies around the residues or atoms attached with the sulfur atom and the water molecules surrounding it. for that I created a group by selecting the two sulfur atoms using the index file. By giving RDF command Can I select the group which I created by index file as first group and the system as second group. And also is it possible to have RDF for vacuum phase simulation.
Thanks in Advance
KEERTHANA
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