exercises:2014_uzh_molsim:index
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exercise:mm_uzh:index [2014/05/23 11:19] – [Week 3] talirz | exercise:2014_uzh_molsim:index [2014/10/15 13:21] – oschuett | ||
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Getting familiar with the command line, Gnuplot and VMD. | Getting familiar with the command line, Gnuplot and VMD. | ||
- | - [[exercise: | + | - [[bash_terminal|The bash terminal in MacOS X]] |
- | - [[exercise: | + | - [[gnuplot|2d plotting with Gnuplot]] |
- | - [[exercise: | + | - [[vmd|3d visualization with VMD]] |
- | - [[exercise: | + | - [[ssh|Working on remote computers with SSH (optional)]] |
- | + | ||
- | |Required files | {{ : | + | |Required files | {{ intro.tar? |
===== Week 1 ===== | ===== Week 1 ===== | ||
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Ingredients of a force field and molecular dynamics in action. | Ingredients of a force field and molecular dynamics in action. | ||
- | - [[exercise: | + | - [[h2o_ff|Constructing a force field for the $\text{H}_2\text{O}$ molecule]] |
- | - [[exercise: | + | - [[h2o_md|Molecular dynamics of liquid $\text{H}_2\text{O}$]] |
- | |Required files | {{ : | + | |Required files | {{ week1.tar? |
===== Week 2 ===== | ===== Week 2 ===== | ||
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Sampling dynamical properties, dealing with surfaces of crystals and a glimpse of QM/MM. | Sampling dynamical properties, dealing with surfaces of crystals and a glimpse of QM/MM. | ||
- | - [[exercise: | + | - [[h2o_diff|Diffusion constant, viscosity and size effects]] |
- | - [[exercise: | + | - [[chp_cu111|QM/ |
- | |Required files | {{ : | + | |Required files | {{ week2.tar? |
===== Week 3 ===== | ===== Week 3 ===== | ||
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The ' | The ' | ||
- | - [[exercise: | + | - [[nacl_md|Free and constrained molecular dynamics]] |
- | - [[exercise: | + | - [[nacl_free_energy|Profiles of potential energy and free energy]] |
- | - [[exercise: | + | - [[alanine_dipeptide|Potential energy surface of Alanine dipeptide]] |
- | |Required files | {{ : | + | |Required files | {{ week3.tar? |
exercises/2014_uzh_molsim/index.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1