hi all
I'm using amber 8 and i performed MD with nmr
restraint.
I try different constraints with option ialtd=0
and if i understant give you a flatt-bottomed
potential
with if r1<=R<r2 E=0, r4<=R<r1 linear (which equation
is used here is f(R)=rk2*R?) and r3<=R<r4 parabolic
(which equation is used here is f(R)=rk2*R²?)
my question: it is possible to obtain a flat-bottomed
potential in the region r4<=R<r1 i.e. f(R)=rk2 instead
of f(R)=rk2*R?
Thanks
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Received on Mon Aug 22 2005 - 12:53:00 PDT
