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protein
- yuhui234
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13 years 11 months ago #350
by yuhui234
protein was created by yuhui234
Dear Sir:
I have a question about about use of restraints in protein CG simulation, in normal conditions, the protein CG molecular dyanmics simlation require distance restriant in order to advoid structure exploding? Please give me some suggetions!thank you!
I have a question about about use of restraints in protein CG simulation, in normal conditions, the protein CG molecular dyanmics simlation require distance restriant in order to advoid structure exploding? Please give me some suggetions!thank you!
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- xavier
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13 years 11 months ago #353
by xavier
Replied by xavier on topic protein
It is possible that large molecular complexes deform a bit when using the regular Martini, which tends to describe a more generic protein and looses the detail structural characteristics of a protein.
If your protein experience large and unrealistic deformation there is a way to ovoid this. This goes through the definition of an elastic network over your protein.
You'll find the files and tutorials on the tools section of the website.
XAvier.
If your protein experience large and unrealistic deformation there is a way to ovoid this. This goes through the definition of an elastic network over your protein.
You'll find the files and tutorials on the tools section of the website.
XAvier.
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