exercises:2021_uzh_acpc2:ex02
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exercises:2021_uzh_acpc2:ex02 [2021/05/11 09:41] – jglan | exercises:2021_uzh_acpc2:ex02 [2021/05/18 10:03] – [Water] Fix VMD-RMSD instructions mrossmannek | ||
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We have prepared a CP2K input file '' | We have prepared a CP2K input file '' | ||
<note important> | <note important> | ||
- | < | + | < |
unzip water.zip | unzip water.zip | ||
</ | </ | ||
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Finally, if you take care of the above, the value of D is obtained from the slope, at a long time, of the right-hand side of the above equation (also be careful with the units). | Finally, if you take care of the above, the value of D is obtained from the slope, at a long time, of the right-hand side of the above equation (also be careful with the units). | ||
- | Once again, VMD comes with an extension for exactly this purpose: In the VMD Main window open “Extensions → Analysis” click on “RMSD Trajectory Tool”. In the appearing window | + | Once again, VMD comes with an extension for exactly this purpose: In the VMD |
+ | Main window open “Extensions → Analysis” click on “RMSD Trajectory Tool”. In the | ||
+ | appearing window | ||
+ | to track. | ||
+ | Finally, use "File -> Plot data" | ||
< | < |
exercises/2021_uzh_acpc2/ex02.txt · Last modified: 2021/05/19 14:30 by jglan