I did a pulling simulation for protein-drug system.
This could mean almost anything. Please provide details.
Chris.
-- original message --
Dear All
I did a pulling simulation for protein-drug system.
My output (pull.xvg) has a pick in 100 ps (equivalent to 1 nm),
the rest of plot is flat(of course with oscilation around the average),of
course with NOT ZERO average in the flat region.
Can I result ?
" the interaction between protein and drug has finished after 1 nm"
If yes, why the average of flat region is not zero(after the pick)?
Thanks in advance
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