Self-rotation function

Kyeong Kyu Kim kyeong
Thu Aug 22 17:10:33 EST 1996


Dear all,
I have two dimers in an asymmetric unit.
During the self-rotation calculation, I found below errpr message.
Could anyone expain the meaning of this error?

List of the highest peaks of the clusters (EPSIlon= 0.35)
     no.  priority     psi,    phi,    kappa           RF
 ===========================================================
 %ROTMAT-ERR: inconsistent T1,T2,T3=   97.76       157.3       180.0

 ROT =
    0.559456    0.457938    0.900353
    1.026517   -0.963510    0.592660
    0.508205   -0.492404   -0.706588

 ROT2 =
    0.670098    0.246865    0.700019
    0.246865   -0.963510    0.103473
    0.700019    0.103473   -0.706588
 %MATROT-ERR: Error in internal consistency check
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 BOMLEV=    0 reached.  Program execution will be terminated.
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 Subroutine DIE called . Terminating


Kyeong Kyu Kim




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