If thermostats can alter the water behavior, how about running with no thermostat (nVE)?
—
Gustavo Seabra.
> Em 22 de nov de 2016, à(s) 16:31, Karolina Mitusińska (Markowska) <markowska.kar.gmail.com> escreveu:
>
> 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
> choose?
>
> 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 Mitusińska
> PhD student
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Received on Tue Nov 22 2016 - 12:00:04 PST
