Posted by Y.J.Liu on December 03, 2008 at 12:45:20:
In the output file of slapaf module, the work is terminated by the following error:
Decrease the threshold for redundant coords
nDim,mTR,nK= 8 3 4
nqRF, nqB, nqA, nqT, nqO= 0 3 3 0 0
Redundant Internal Coordinates
b001 = Bond H C1
b002 = Bond O C2
b003 = Bond H C2
a001 = LAngle(1) H C2 O
a002 = LAngle(2) H C2 O
a003 = Angle C1 H C2
Number of redundant coordinates: 6
How should I do to avoid the error?
Thanks a lot!