How can I monitor the force during constant velocity SMD?

From: wayj86 wayj86 (
Date: Sat Nov 15 2008 - 07:26:02 CST

Hi all,

I want to perform SMD in this way: To keep pulling the SMD atom with
constant velocity and monitor the pulling force. When the force reach a
specified value (e.g. 400pN) I hope to record the current timestep and save
the files of binvelocities, bincoordinates and extendedsystem. Then SMD
would be continued and search for the next specified force. Could you please
tell me how can I do that? Thank you very much for any help.

Best wishes,

The future is now!

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