User Tools

Site Tools


exercises:2014_ethz_mmm:c2h2_bond_energy

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Last revisionBoth sides next revision
exercise:2014_ethz_mmm:c2h2_bond_energy [2014/10/15 12:39] – exercise:c2h2_bond_energy renamed to exercise:2014_ethz_mmm:c2h2_bond_energy oschuettexercise:2014_ethz_mmm:c2h2_bond_energy [2014/10/15 13:26] oschuett
Line 15: Line 15:
 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 · Last modified: 2020/08/21 10:15 by 127.0.0.1