[gmx-users] ANY information about pull simulations needed!
yesint4 at yahoo.com
Wed Jul 23 13:45:01 CEST 2003
Thank you! I'll try.
> Pull Type "afm" is surely not buggy in the 3.1.4
> version. What about
> testing your setup in the following way: You change
> oull type to afm,
> choose a velocity that is about the average of the
> one you observe in the
> free MD (I assume, the ion is freely moving into the
> channel, as you
> expect forces in this direction), and choose a stiff
> Then you look onto the force that changes with
> spring position and check
> if this makes sense. It this also does not work
> fine, your setup is
> somehow wrong.
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