Dear all :
I want to run TMD with my system and I have successfully run it with
traditional MD .There I want to make clear some puzzles as following :
1.Before running TMD ,should my initial molecular and my targeted
molecular be equilibrium ?
2. If I have to do so ,shoud I gradually decrease restraint_wt ,such as
from 10 ,5 ,2 ,1 ,0.5 with 0.5ns separately and 0 with about 2ns when I
run the equilibrium?
Thank you very much and give my best wishs to you.
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Received on Mon Sep 24 2012 - 19:00:03 PDT
