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exercises:2014_uzh_molsim:vmd

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exercise:mm_uzh:vmd [2014/04/24 17:25] talirzexercises:2014_uzh_molsim:vmd [2020/08/21 10:15] (current) – external edit 127.0.0.1
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 We are going to start by creating a visual representation of the protein rubredoxin. We are going to start by creating a visual representation of the protein rubredoxin.
 +{{ rubredoxin.png?direct&400 |Representation of rubredoxin's secondary structure and active site generated by VMD.}}
 <note>**TASK 1** <note>**TASK 1**
  
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   - How many water molecules were simulated?   - How many water molecules were simulated?
-  - Visualize the trajectory with VMD. You may want to change the representation style from lines to something else. +  - Visualize the trajectory with VMD. You may want to change the representation style from 'linesto something else. 
-  - Measure the Na-Cl distance and create a plot of its evolution with the frame number. +  - Measure the $\text{Na-Cl}$ distance and create a plot of its evolution with the frame number. 
-  - The simulation was performed in a cubic box with sidelength 12.4138 Angstroms and periodic boundary conditions. Draw the simulation box.+  - The simulation was performed in a cubic box with side length 12.4138 Angstroms and periodic boundary conditions. Draw the simulation box.
   - In the course of the simulation, the molecules start moving outside of the box! Does this indicate a problem?   - In the course of the simulation, the molecules start moving outside of the box! Does this indicate a problem?
-  - Compare with the premade visualization state nacl.vmd. What is different here?+  - Compare with the premade visualization state ''nacl.vmd''Describe the mathematical transformation that has been applied here.
 </note> </note>
exercises/2014_uzh_molsim/vmd.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1