CCL: Problem in Qsite (Schrodinger) Calculation



 Sent to CCL by: "Senthil  Natesan" [sen.natesan * yahoo.com]
 I am trying to do QM/MM Calculation for protein-ligand complex using Qsite
 module in Schrodinger and ended up with the following error.
 **************************************************************************
 Atomtyping finished successfully for molecule:
 %IMPACT-I(foldmain): finished parameter assignment
  PARM read from file paramstd.dat
  Parameter obtained from atomtyping
 No match for QM neighbor atom in data file 6
   start of program pre
   ERROR: fatal error -- debug information follows
   There's no &zmat section in input file!
  ------------------------------------------------------------
   Jaguar cannot recover from this error and will now abort.
 *****************************************************************************
 I have previously run the identical calculations successfully with the same
 complex but different input files. I checked both set of files, but could not
 figure out any difference as such. The only difference is, the preparation
 before this step was done by sybyl version (7.1) earlier and now sybyl8.0.
 I would appreciate any help in this regard. Thanks for your valuable time.
 Senthil Natesan
 senthil.natesan() ndsu.edu
 sen.natesan() yahoo.com