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--- exercise:nudged_elastic_band [2014/02/21 11:32] – oschuett
+++ exercise:2014_ethz_mmm:nudged_elastic_band [2014/10/15 12:42] – exercise:nudged_elastic_band renamed to exercise:2014_ethz_mmm:nudged_elastic_band oschuett
@@ Line 144: / Line 144: @@
 Here is a short script to create an energy profile as  a function of the replica number.
 <code>
-$ for a in 1 2 3 4 5 6 7 8 9 10 ; do grep ENERGY  neb1-BAND${a}.out | tail -n 1 | awk '{print '${a}',$9}' ; done
+$ for a in 1 2 3 4 5 6 7 8 9 10 ; do grep ENERGY  neb1-BAND${a}.out | tail -n 1 | awk '{print '${a}',$9}' ; done > neb1_profile
+</code>
+The energy profile will be stored in the file ''neb1_profile''. Any plotting program should be able to visualize it, e.g. gnuplot:
+<code>
+$ echo "plot 'neb1_profile' w l; pause mouse" |  gnuplot
 </code>
-The energy profile will be printed on screen. Any plotting program should be able to handle it.
 ===== Path 2: Coordinated rotation =====