Dear Dr. Jason,
I ever increased the number of minimization step to 20000, but it is still failed to calculate the entropy of the receptor.
For the 3th time, I increase it to 30000, but everything is the same.
For the 4th time, I increase the drms to 0.002, it still does not work.
It looks like, it will not work on my system to calculate the entropy!
Can you give me more suggestions?
Rilei Yu
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Received on Mon May 17 2010 - 19:00:03 PDT
