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normal Bead types

  • P_Banerjee
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7 years 11 months ago #5550 by P_Banerjee
Bead types was created by P_Banerjee
Hello users,

The standard MARTINI paper ( www.rug.nl/research/portal/files/6707449...PhysChemBMarrink.pdf ) talks about 4 types of beads, amongst which N-type is non-polar and C-type is apolar. I am not sure about the difference between the two. Could someone help?

Thanks.

-Pallavi Banerjee

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7 years 11 months ago #5560 by peterkroon
Replied by peterkroon on topic Bead types
Hi Pallavi,

Martini know 18 bead types, categorized in 4 groups (C, N, P, Q). Conceptually the difference between these bead types can be understood as polarity/hydrophilicity. On the implementation side, the difference is expressed in differences in the Lennard-Jones parameters.

Reading your question again: the difference between non-polar and apolar is that apolar compounds are strongly hydrophobic, and non-polar compounds are miscible with both water and organic solvents.

I hope this answers your question!
Peter

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