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exercises:2014_ethz_mmm:c2h2_bond_energy

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exercises:2014_ethz_mmm:c2h2_bond_energy [2014/10/15 12:39]
oschuett exercise:c2h2_bond_energy renamed to exercise:2014_ethz_mmm:c2h2_bond_energy
exercises:2014_ethz_mmm:c2h2_bond_energy [2014/10/15 13:26] (current)
oschuett
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 In this exercise you will test the general AMBER force field, which is suitable for a large class of molecules. In this example you will compute the classical energy of a simple acetylene molecule and apply small variations to the C-C bond lengths. ​ In this exercise you will test the general AMBER force field, which is suitable for a large class of molecules. In this example you will compute the classical energy of a simple acetylene molecule and apply small variations to the C-C bond lengths. ​
 <note tip> <note tip>
-All files of this exercise (**input and scripts are all commented**) can be downloaded from the wiki: {{:exercise:exercise_2.1.zip|}} ​+All files of this exercise (**input and scripts are all commented**) can be downloaded from the wiki: {{exercise_2.1.zip|}} ​
 </​note>​ </​note>​
 Please copy them to your directory. The input file structure is the following: Please copy them to your directory. The input file structure is the following:
exercises/2014_ethz_mmm/c2h2_bond_energy.txt ยท Last modified: 2014/10/15 13:26 by oschuett