1. Force Fields
  3. Lipids
  5. Regarding mapping of Sodium lauroyl Sarcosinate, SLAS

normal Regarding mapping of Sodium lauroyl Sarcosinate, SLAS

  • chitamaz
  • chitamaz's Avatar Topic Author
  • Offline
  • Fresh Boarder
More
12 years 11 months ago #636 by chitamaz
Regarding mapping of Sodium lauroyl Sarcosinate, SLAS was created by chitamaz
Hi,
I have a surfactant molecule sodium lauroyl sarcosinate.
I have been mapped it by 5 CG beads, Qa [for CH2COO-]; P5 [for CON(CH3)CH2]; C2 [for (CH2)3] and 2 C1 [for two (CH2)4].
I want to know is the definitions of the groups are ok or not? or give me some suggestion according the mapping of CH3(CH2)9CON(CH3)CH2COO- surfactant molecule.

Thanks in advance.
Parichita

Please Log in or Create an account to join the conversation.

More
12 years 11 months ago #637 by siewert
Replied by siewert on topic Regarding mapping of Sodium lauroyl Sarcosinate, SLAS
I suggest to model the CON(CH3)CH2 part of your molecule by a less polar bead; the nitrogen atom cannot act as hydrogen bond donor or acceptor in your case, and so the group resembles the 'propanal' building block. This requires a 'Na' particle. For the remaining part is your mapping appropriate. Good luck!

Please Log in or Create an account to join the conversation.

  • chitamaz
  • chitamaz's Avatar Topic Author
  • Offline
  • Fresh Boarder
More
12 years 11 months ago #638 by chitamaz
Replied by chitamaz on topic Regarding mapping of Sodium lauroyl Sarcosinate, SLAS
Thanks for the suggestion...

Please Log in or Create an account to join the conversation.

  1. Force Fields
  3. Lipids
  5. Regarding mapping of Sodium lauroyl Sarcosinate, SLAS
Time to create page: 0.090 seconds