[AMBER] DOPC lipid bilayer deformation in Implicit MD simulation using Lipid14 force field in Amber18

From: Bhat Zahoor <dr.zahoor11.gmail.com>
Date: Tue, 7 Jan 2020 12:46:55 +0530


I have been trying to simulate DOPC lipid bilayer model in implicit solvent
using Lipid14 force field in Amber18 but after a few ns of production run,
the lipid bilayer starts to deform and behave more like a liposome.
I have prepared the bilayer model using Charmm-Gui web interface and then
minimized the model using Amber18. While simulating the same system in
explicit solvent and same force field for 100 ns did not show membrane
deformation. I just want to know, whether there is any error or this is
normal for a bilayer simulation in Implicit solvent.

*Zahoor Ahmad Bhat*
Research Scholar
Multidisciplinary Centre for Advanced Research and Studies
Jamia Millia Islamia
New Delhi - 110025
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Received on Mon Jan 06 2020 - 23:30:01 PST
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