[AMBER] DIfferences between thermostats

From: Markowska <markowska.kar.gmail.com>
Date: Tue, 22 Nov 2016 20:31:18 +0100

Dear Amber Users,

I would like to analyse a flow of water molecules through a protein. The
problem is, I'm not sure which thermostat to choose to have the _correct_
behaviour of water molecules. For example if my system have two tunnels and
one is more hydrophobic than the secnd one - which thermostat should I

Sorry for such stupid question. I've spend whole day reading papers about
different thermostats and yet I only know that there could be some
differences in water molecules behaviour, but I still don't understand the
reason of these differences.
Could you help me, please?

Best regards.
Karolina MitusiƄska
PhD student
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Received on Tue Nov 22 2016 - 12:00:02 PST
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