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Syntax - TENSOr

 TENSO {<Tenso-dipolar-statement>} END 
 <TENSO-statement>:== 
  ASSIgn <selection> <selection> <real> <real>
  {* atom_m atom_n Dipo-obs  Dipo-err*}
  CLASsification <name> 
       ! Starts a new class. Applies to all 
       ! ASSIgn , TYPE, and FORCe entries until 
       ! another CLASS entry is issued. 
  COEFficient <real> 
       ! Coeff is the DFS-value only !
  FORCeconstant <real> 
       ! force constant for all assignments in the 
       ! current class. {default = 50} 
  NREStraints <integer> 
       ! number of slots for restraints to allocate 
       ! in memory {default = 200} 
  POTEntial <HARMonic | SQUAre> 
       ! whether to use Dipo-deviations or not
  PRINt THREshold <real> 
       ! prints Anisotropy violations greater than 
       ! the specified value 
  RESEt 
       ! erases the TENSO assignment table, but keeps 
       ! NREStraints the same.

Xplor-NIH 2024-09-13