smd direction

From: Wang,Ying (wangying_at_ufl.edu)
Date: Mon Mar 30 2009 - 10:04:28 CDT

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Hi, dear all,
I have a question about the SMD direction.
In my case, I let the polymer align along the x axis. Then I fix
one end and push the other end toward (-1,0,0) direction, which is
like a "compression" process.
However, during the process, the SMD atom didnot move as I set. It
moves along (-0.8,-0.4,-0.5) roughly. But in the log file, the SMD
direction is (-1,0,0) indeed.

Could anybody tell me what's happen? If I compress the polymer,
the SMD atom will adjust the direction by itself if the force too
large? How can I let it move as I wish?

Thanks a lot!

--
Wang,Ying

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