Constant velocity SMD

From: maral hassani (
Date: Tue Jun 09 2015 - 07:14:16 CDT

Hello everyone,I am simulating a bond breakage under pulling with constant velocity. However, the problem that i have encountered is that i need to pull the terminal atom with 0.0002(A/timestep) equals to 0.1 A/ps. But, the run fails because of unstability at the begining. on the other hand it gets complete while i set the velocity to 0.00002(0.01 A/ps). I would be grateful if someone help me.Thank You,Maral 

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