[AMBER] counting water molecules through transmembrane pore

From: Chetna Tyagi <cheta231.gmail.com>
Date: Wed, 12 Jun 2019 18:09:54 +0200

Dear Amber users,

I would like to calculate the number of water molecules that crossed
through the pore as a function of simulation time from one end to another.

The hexameric pore is set in a DOPC:DOPG bilayer membrane. I have tried
'diffusion' calculation but it doesn't calculate the number of water
molecules passing through the pore.

Any ideas will help me a lot. Thanks. 

-- 
Best wishes
Chetna
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Received on Wed Jun 12 2019 - 09:30:03 PDT
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