VMD-L Mailing List

From: Karol Kaszuba (karol.kaszuba_at_moskit.uwm.edu.pl)
Date: Tue Nov 27 2007 - 03:28:04 CST

  Hello,

  I have a problem with gaussian log file. Each time I load it by using
  QMtool plugin I receive this same error message:
  error: can't use empty string as operand of "/"
  I have to parametrize one molecule, so I am checking the "internal
  coordinates" and I see only equilibrium bonds, angles, dihedrals but
  without force constants.
  What is really strange - when I load another gaussian log but for
  smaller compound this error does not appear - values for angles and
  constants are present.
  
  In gaussian calculations I used identical options with only one difference -
  as I wrote the molecules differed in their size.
  
  I would like to ask how to solve this problem.
  
  Calculations were performed in Gaussian 03.
  VMD version - 1.8.6.

  Thank you in advance,

  Regards,
  
  Karol