Dear Debolina Mitra,
You might be interested by the project by S. Abel about a surfactant
in R.E.DD.B.
See project F-92 at
http://q4md-forcefieldtools.org/REDDB/projects/F-92/
regards, Francois
> I am a user of Amber11 and working on a surfactant molecule. I have
> generated the parameter file of the above molecule using Gauss View 03
> (windows version) and antechamber of Amber 11. Next I wish to do the
> following task:
>
> (i) The amphiphile contains a hydrophilic head part (ammonium group) and a
> long hydrocarbon tail. By using which solvent model one can only solvate
> the head part of a molecule and keep the long tail part vertically aligned
> in air?
>
> (ii) Next I need to replicate the whole system creating a monolayer of the
> amphiphile at the air-water interface in two dimension.
>
> Kindly suggest a viable route for the task, if possible.
> Thanks & regards
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri May 25 2012 - 00:00:04 PDT
