Dear All,
Forgive me to send this message again and I really need some advice to go on my work.
I am studying a channel protein and I want to set a substrate concentration gradient difference acorss membrane in the MD simulation process to see if the concentration gradient difference could push the substrate molecule pass through the channel or not. But it's hard to keep the gradient difference due to periodic boundary conditions without other special treatments. Is there any way to set the gradient difference acorss membrane?
Any suggestions would be greatly appreciated.
Thank you in advance!
All the best,
Wu Meng
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Received on Mon Jun 05 2017 - 18:30:02 PDT
