Hi
does anyone have an example of a chemical shift restraint (&shf) for amber?
eg, analogous to the input:
##### NOE FORCE CONSTANT
&rst
rk2= 20.0, rk3= 20.0, ir6= 1, ialtd= 0,
&end
# 4 PRO HA 5 THR QG2 6.20 (# )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.0, r4= 3.50,
igr1= 18,
igr2= 22,
&end
#
thanks in advance.
dan
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Received on Sun Nov 18 2007 - 06:07:52 PST
