Dear Amber community,
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
Debolina Mitra
--
Dr. Debolina Mitra
Assistant Professor
RBC College, Naihati
North 24-Parganas
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Received on Thu May 24 2012 - 01:30:02 PDT
