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Changing Martini Bead size?
- xudongh
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10 years 1 month ago #3567
by xudongh
Changing Martini Bead size? was created by xudongh
Dear experienced professionals,
I wish to explore the effects of changing martini bead size. Is there a way for me to reduce the bead size? Also, when I do re-size it, will the interaction (energies, potentials) scale down with the size as well?
I wish to explore the effects of changing martini bead size. Is there a way for me to reduce the bead size? Also, when I do re-size it, will the interaction (energies, potentials) scale down with the size as well?
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- jaakko
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10 years 1 month ago #3572
by jaakko
Replied by jaakko on topic Changing Martini Bead size?
Hi,
changing the bead size can lead to very unexpected changes in the behaviour of your system and is not recommended without extensive testing. In theory, the size of the beads is determined by the repulsive part of the Lennard-Jones interaction and size can be tuned by changing the sigma parameter that defines it. The interactions do not scale automatically (or rather they do change but most probably not the way you want) and thus you'll have to probably also fine tune the epsilon parameters too.
- Jaakko
changing the bead size can lead to very unexpected changes in the behaviour of your system and is not recommended without extensive testing. In theory, the size of the beads is determined by the repulsive part of the Lennard-Jones interaction and size can be tuned by changing the sigma parameter that defines it. The interactions do not scale automatically (or rather they do change but most probably not the way you want) and thus you'll have to probably also fine tune the epsilon parameters too.
- Jaakko
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