exercises:2014_ethz_mmm:c2h2_bond_energy
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exercise:c2h2_bond_energy [2014/06/09 23:00] – dpasserone | exercise:c2h2_bond_energy [2014/06/09 23:04] – dpasserone | ||
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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. | ||
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- | All files of this exercise can be downloaded from the wiki: {{: | + | All files of this exercise |
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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 · Last modified: 2020/08/21 10:15 by 127.0.0.1