[AMBER] measures of data reliability in Steered MD

From: Asmita Gupta <asmita4des.gmail.com>
Date: Thu, 23 Jun 2016 19:55:30 +0530

Dear users,

  I have performed a series of SMD simulations to study unfolding of an RNA
oligomer and have done PMF calculation using Hummer and Szabo's
implementation of Jarzynski's equality.

Is there any way to statistically estimate the error and data reliability
for SMD simulations if the number of replicates are <10?

Thanks,

Asmita
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Received on Thu Jun 23 2016 - 07:30:05 PDT
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