[gmx-users] SDS micelle simulation in TFE solvent

[Archana Sonawani]

Hi,

  I want to simulate a peptide using SDS micelle. The peptide is random
coil,
    but I want it to be helical; therefore, I will use TFE for inducing
helix.
    I have never performed simulations using micelle. I have following
queries:
    1. *From where would I get coordinates of SDS micelle-water complex? *(
I
    have .itp file for SDS)
    2. Do I require lipid.itp for this simulation?

Thanks in advance

Regards,

Archana Sonawani-Jagtap
Senior Research Fellow,
Biomedical Informatics Centre,
NIRRH (ICMR), Parel
Mumbai, India.
9960791339