wrong velocity in steered molecular dynamics

From: Ana Celia Araujo Vila Verde (avilaverde_at_engr.psu.edu)
Date: Sat Apr 07 2007 - 14:29:18 CDT

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Hi all,
 
I'm running a SMD simulation, and I defined SMDVel as 0.00001 (angstroms/timestep). The *log file confirms this velocity: "Info: SMD VELOCITY 1e-05 ANGSTROM/TIMESTEP"
 
However, during my simulation I find that the SMD atoms travel 38 angstroms in 800 timesteps (0.0475 A/time-step or a whooping 5000 meters/second...)
 
Can anyone offer some insight as to what is going on?
 
Thanks,
 
Ana

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