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from AA to CG for dendrimer
- mexes87
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10 years 1 month ago #3600
by mexes87
from AA to CG for dendrimer was created by mexes87
how can I obtain a CG pdb from Atomistic PDB for dendrimer?
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- jaakko
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10 years 1 month ago #3603
by jaakko
Replied by jaakko on topic from AA to CG for dendrimer
Hi,
you need to first have CG parameters for your dendrimer. There is a tutorial on this site that explains well how to parameterize a new molecule . When you have the CG mapping for your dendrimer the CG coordinates are commonly obtained as a weighted sum of the AA coordinates (part 2 of the tutorial explains this is much more detail).
Hope this helps.
- Jaakko
you need to first have CG parameters for your dendrimer. There is a tutorial on this site that explains well how to parameterize a new molecule . When you have the CG mapping for your dendrimer the CG coordinates are commonly obtained as a weighted sum of the AA coordinates (part 2 of the tutorial explains this is much more detail).
Hope this helps.
- Jaakko
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- mexes87
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10 years 4 weeks ago #3610
by mexes87
Replied by mexes87 on topic from AA to CG for dendrimer
thanks for help
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