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--- exercises:2015_ethz_mmm:md_slab [2015/03/12 08:50] – yakutovich
+++ exercises:2015_ethz_mmm:md_slab [2015/03/19 22:05] – dpasserone
@@ Line 2: / Line 2: @@
-This exercise deals with heating a gold slab, namely the (100) reconstructed that you already simulated last time. The goal is to plot a density profile in the direction orthogonal to the slab, and to compute (using vmd) the radial distribution function g(r) at various temperatures.
+This exercise deals with heating a gold slab, namely the (100) reconstructed that you already simulated last time. The goal is to plot a density profile in the direction orthogonal to the slab, and to compute (using vmd) the radial distribution function g( r ) at various temperatures.
 Download the 4.2 exercise into your $HOME folder and unzip it:
@@ Line 73: / Line 73: @@
 <note tip>
  Discuss radial distribution function for 700, 1100, and 1300 K.
+Here how to use the g(r) module:
+) First apply pbcs (see above)
+) Open the radial distribution function plugin and enter the parameters as shown (from "Utilities" you can check that your unit cell is OK)
+) Click "Compute g(r)"
+) From the "File" menu of the graph window, you can save as postscript file or other formats
 </note>