Dear Amber Users:
I am doing targeted md. My protein is solvated by a shell of water. The
whole has been equilibrated. When the TMD runs for a period of time,
sometimes 300 ps, or 500ps, there is a water molecule escapes from the
surface. It is headachy.
Now, I want to modify the velocity of the escaping water, and let it run
to the opposite direction. I think it is physical. Correct? If yes, how to
modify it form the *.rst file?
Is there someone know the realy meaning of the RST file?
Ji-Lai Li
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Received on Sun Feb 18 2007 - 06:07:27 PST
