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--- exercises:2015_uzh_molsim:index [2015/05/04 11:11] – [Introduction (tentative)] yakutovich
+++ exercises:2015_uzh_molsim:index [2015/05/27 10:17] – [Week 3 (tentative)] yakutovich
@@ Line 3: / Line 3: @@
 The following exercises are part of the the course [[http://www.vorlesungen.uzh.ch/FS15/suche/sm-50018861.modveranst.html|Molecular simulations]] held by [[http://www.pci.uzh.ch/iannuzzi/|Marcella Iannuzzi]] at the University of Zurich during the spring semester 2015.
-===== Introduction (tentative) =====
+===== Introduction =====
 Getting familiar with the command line, Gnuplot and VMD.
-  - [[bash_terminal|The bash terminal in MacOS X]]
+  - [[ssh|Working on remote computers with SSH (Linux, MacOS X, Linux)]]
-  - [[ssh|Working on remote computers with SSH (optional)]]
+  - [[bash_terminal|The bash terminal]]
   - [[gnuplot|2d plotting with Gnuplot]]
   - [[vmd|3d visualization with VMD]]
+  - [[cp2k|Running a simple example with CP2K]]
 |Required files | {{ intro.tar?direct&400 |}}|
-===== Week 1 (tentative) =====
+===== Week 1 =====
 Ingredients of a force field and molecular dynamics in action.
@@ Line 23: / Line 24: @@
 |Required files | {{ week1.tar?direct&400 |}}|
-===== Week 2 (tentative) =====
+===== Week 2 =====
 Sampling dynamical properties, dealing with surfaces of crystals and a glimpse of QM/MM.
@@ Line 32: / Line 33: @@
 |Required files | {{ week2.tar?direct&400 |}}|
-===== Week 3 (tentative) =====
+===== Week 3  =====
 The 'chemical reaction' of $\text{NaCl}$ dissociating into $\text{Na}^+$ and $\text{Cl}^-$ in an aqueous environment and an example of a two-dimensional potential energy surface.