Dear Amber Users,
I'm curious how is pmemd or sander dealing with the thermostat of the whole
system.
I've recently read about the hot solvent, cold solute problem and would
like to ask, if it is possible in either sander or pmemd to check the
temperature separately for the protein and the solvent?
And is it possible to set the thermostat separately for the protein and the
solvent?
How can I be sure that I'm not having a cold protein surrounded by hot
water?
I'm looking forward for some more knowledge!
Best regards,
Karolina Mitusińska
PhD student
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Received on Wed May 08 2019 - 00:00:02 PDT
