Difference between revisions of "Normal mode analysis HEXA"

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(Normal mode analysis)
(Results)
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=== Results ===
 
=== Results ===
   
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We took the first five models (7, 8, 9, 10, 11).
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Here you can see the normalized squared atomic displacments of our models:
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  +
{| border="1" style="text-align:center; border-spacing:0;"
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|model 7
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|model 8
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|model 9
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|model 10
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|model 11
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|-
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|[[Image:mode_1_plot.png|thumb|150px|...]]
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|[[Image:mode_2_plot.png|thumb|150px|...]]
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|[[Image:mode_3_plot.png|thumb|150px|...]]
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|[[Image:mode_4_plot.png|thumb|150px|...]]
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|[[Image:mode_5_plot.png|thumb|150px|...]]
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|-
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|}
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  +
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Here you can see the motion of our analyses.
  +
  +
{| border="1" style="text-align:center; border-spacing:0;"
  +
|model 7
  +
|model 8
  +
|model 9
  +
|model 10
  +
|model 11
  +
|-
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|[[Image:model7.gif|thumb|150px|normalized squared atomic displacments of model 7]]
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|[[Image:webnma_model8.gif|thumb|150px|normalized squared atomic displacments of model 8]]
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|[[Image:webnma_model9.gif|thumb|150px|normalized squared atomic displacments of model 9]]
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|[[Image:webnma_model10.gif|thumb|150px|normalized squared atomic displacments of model 10]]
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|[[Image:webnma_model11.gif|thumb|150px|normalized squared atomic displacments of model 11]]
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|-
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|}
   
 
== All-atom NMA using Gromacs on the NOMAD-Ref server ==
 
== All-atom NMA using Gromacs on the NOMAD-Ref server ==

Revision as of 12:40, 14 July 2011

Webnma

General information

Results

We analysed the five models with the lowest energy values. Webnma calculates fourteen different models with following energy values:

Mode Index Deformation Energy
7 1041.88
8 1318.21
9 1738.30
10 2841.31
11 3135.09
12 4100.18
13 3911.06
14 5337.50
15 5741.69
16 6513.85
17 6081.05
18 6882.96
19 7514.14
20 7943.67

We took the first five models (7, 8, 9, 10, 11).

Here you can see the normalized squared atomic displacments of our models:

model 7 model 8 model 9 model 10 model 11
normalized squared atomic displacments of model 7
normalized squared atomic displacments of model 8
normalized squared atomic displacments of model 9
normalized squared atomic displacments of model 10
normalized squared atomic displacments of model 11


Here you can see the motion of our analyses.

model 7 model 8 model 9 model 10 model 11
normalized squared atomic displacments of model 7
normalized squared atomic displacments of model 8
normalized squared atomic displacments of model 9
normalized squared atomic displacments of model 10
normalized squared atomic displacments of model 11

NOMAD-Ref

General information

Results

We took the first five models (7, 8, 9, 10, 11).

Here you can see the normalized squared atomic displacments of our models:

model 7 model 8 model 9 model 10 model 11
...
...
...
...
...


Here you can see the motion of our analyses.

model 7 model 8 model 9 model 10 model 11
normalized squared atomic displacments of model 7
normalized squared atomic displacments of model 8
normalized squared atomic displacments of model 9
normalized squared atomic displacments of model 10
normalized squared atomic displacments of model 11

All-atom NMA using Gromacs on the NOMAD-Ref server

General information

Results