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Change in simulation box size
- Bharath
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11 years 1 month ago #1413
by Bharath
Change in simulation box size was created by Bharath
Hi all,
While running a simulation of a 128-molecule DOPC bilayer (from the tutorial) and a peptide molecule, the box size changed quite drastically- from a cubic box of 7.5 nm x 7.5 nm x 7.5 nm to around 9 nm x 9 nm x 5 nm (the 5 nm is in the plane of the bilayer). Any reason why this might be happening?
Thanks!
While running a simulation of a 128-molecule DOPC bilayer (from the tutorial) and a peptide molecule, the box size changed quite drastically- from a cubic box of 7.5 nm x 7.5 nm x 7.5 nm to around 9 nm x 9 nm x 5 nm (the 5 nm is in the plane of the bilayer). Any reason why this might be happening?
Thanks!
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- Bharath
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11 years 1 month ago #1414
by Bharath
Replied by Bharath on topic Change in simulation box size
System contents: 128 lipids, around 3000 water molecules, 1 peptide molecule
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- xavier
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11 years 1 month ago #1440
by xavier
Replied by xavier on topic Change in simulation box size
Does the changes seem to be reasonable?
It might be that you are using a wrong mdp file? Did you fix the problem?
It might be that you are using a wrong mdp file? Did you fix the problem?
Bharath wrote: System contents: 128 lipids, around 3000 water molecules, 1 peptide molecule
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