Dear sir,
I have tried to re-image my bilayer (with water and lipids) after the simulation about 300 ns.
I use the command "autoimage" as prescribed in AmberTools and my earlier posts.
But my trials went no avail.
I used commands like below, one after one in my trials in cpptraj:
1) autoimage
2) autoimage origin
I also used ptraj:
center *
image center
But all didnt work for me. I can see the bilayer shifts slowly in the box and the water molecules in one layer shift to another layer.
I need you help so much.
You help is very precious.
Thank you.
Vijay Manickam.
Chemistry Department,
University of Malaya,
Malaysia
vjramana.gmail.com
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Received on Wed May 07 2014 - 05:30:02 PDT
