[gmx-users] pick in pull.xvg

[chris.neale at utoronto.ca]

> 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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