[AMBER] Using nvt production run after npt equilibration

From: James Starlight <jmsstarlight.gmail.com>
Date: Wed, 24 Sep 2014 12:28:01 +0200

Dear Amber users!

I wounder to ask about idea of the performing of production run of the
membrane-protein system in NVT after several nanoseconds of its NPT
equilibration. What advantages of the NVT production run could be expected
in case of the membrane systems in comparison to the simulation in NPT
ensemble ? What difference in this NVT run could be included in the input
files in comparison to water-soluble protein simulation ?

Thanks for the suggestions,

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Received on Wed Sep 24 2014 - 03:30:03 PDT
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