[AMBER] implicit water model in aMD

From: Thakur, Abhishek <axt651.miami.edu>
Date: Mon, 21 Nov 2016 21:45:04 +0000


I am doing calculations in implicit water model, I want to know it is possible to run aMD with this implicit water model?

If yes then how do I calculate the parameters for aMD? Will running simple production run explicitly and putting that value in it justify the calculations?

Kindly suggest me how do I justify my calculation by this method.

Thanking you,

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Received on Mon Nov 21 2016 - 14:00:03 PST
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