Hi there:
I tried target MD once. I use GBSA model. Seems to me, the simulation
is quite slow. My system is a protein ligand complex about 1000 a.a.. I
pulled the ligand out. I talked with one of my friend. He thinks that
each time when amber superimposes the current structure with target
structure, it is quite expensive. So do you have any experience with
target MD? I wonder whether I can run it faster.
Best,
Lishan
--
Lishan Yao <yaolisha.pilot.msu.edu>
MSU
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Received on Wed Aug 27 2003 - 19:53:01 PDT
