Hello,
I have made a 7 column input file using NMR distance restraint but it is not accepting interproton distances less than 1.8.On running minimization it says check min.out & in that it gave following error -
r1 -> r4 (and r1a -> r4a) must be monotonically increasing; Offending restraint:
******
H2'1( 26)-H2'2( 27) NSTEP1= 0 NSTEP2= 0
R1 = 1.300 R2 = 1.800 R3 = 1.370 R4 = 1.870 RK2 = 20.000 RK3 = 20.000
I would be obliged for any help.
Thank you in advance.
Monica
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Received on Thu Mar 08 2001 - 00:50:03 PST
