SMD: Combined Constant Velocity and Constant Force method

From: Keshab Thapa (keshab.thapa_at_ndsu.edu)
Date: Thu Jan 11 2018 - 15:51:18 CST

NAMD Community,

I've been working on clay-fluid interactions by using steered molecular dynamics (SMD). I can do the constant-velocity SMD and constant-force SMD separately on the molecular model-all is good. I'm wondering if we can study the response of the model by using both constant-velocity and constant-force SMD at the same time. Any ideas will be welcomed.

Isothermal-Isobaric ensemble has been used.

Thanks, Keshab
Graduate Student/North Dakota State University

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