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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