Dear all,
I'm gettig this error when staring a minimization:
What's wrong?
Note that this upls have been "perturbed" so that
that the actual 33 MET HN 33 MET QG 2.27
was indeed 33 MET H 33 MET QG 4.54
Maybe 2.27 is so tight that Amber refuses it?
many many Thanks
Edo
>>>
Here are comments from the DISANG input file:
#
# 33 MET HN 33 MET QG 2.27
ERROR: r1 -> r4 (and r1a -> r4a) must be monotonically increasing;
Offending restraint:
******
HB ( 812)-COM ( -1) NSTEP1= 0 NSTEP2=
0
R1 = 1.300 R2 = 1.800 R3 = 1.610 R4 = 2.110 RK2 = 20.000 RK3 =
20.000
--
Dr Edoardo Saccenti
CERM Magnetic Resonance Center
University of Florence
Fiorgen Foundation
Via Luigi Sacconi n° 6
50019 Sesto Fiorentino
(FI) Italy
Tel: +39 055 4574281
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Received on Wed Jun 27 2007 - 06:07:33 PDT
