[AMBER] is it possible to run aMD in implicit water model?

From: Thakur, Abhishek <axt651.miami.edu>
Date: Tue, 22 Nov 2016 20:51:26 +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,

AMBER mailing list
Received on Tue Nov 22 2016 - 13:00:02 PST
Custom Search