[gmx-users] Drug-Enzyme tutorial

[chandran karunakaran]

Dear GMX Users,

  Many thanks to J E Kerrigan
for his excellent tutorial on Drug-Enzyme
tutorial and speptide tutorial for getting
introduced to GROMACS.

  Although I could run sucessfully speptide
tutorial, I am getting the following error
message when I attempted drug-enzyme tutorial.

-----------------------------------------
Back Off! I just backed up mdout.mdp to
./#mdout.mdp.31#
Warning: as of GMX v 2.0 unit of compressibility is
truly 1/bar
checking input for internal consistency...
calling c:/gromacs/bin/cpp...
processing topology...
WARNING 1 [file em.mdp, line unknown]:
  Invalid order in directives atoms
WARNING 2 [file em.mdp, line unknown]:
  Invalid order in directives bonds
WARNING 3 [file em.mdp, line unknown]:
  Invalid order in directives pairs
WARNING 4 [file em.mdp, line unknown]:
  Invalid order in directives angles
WARNING 5 [file em.mdp, line unknown]:
  Invalid order in directives dihedrals
WARNING 6 [file em.mdp, line unknown]:
  Invalid order in directives dihedrals
WARNING 7 [file em.mdp, line unknown]:
  Invalid order in directives atoms
WARNING 8 [file em.mdp, line unknown]:
  Invalid order in directives bonds
WARNING 9 [file em.mdp, line unknown]:
  Invalid order in directives pairs
WARNING 10 [file em.mdp, line unknown]:
  Invalid order in directives angles
Cleaning up temporary file gromppa01516
Fatal error: Too many warnings, grompp terminated
-----------------------------------------------

  I would be very glad to know why I get
this type of error.  Thanks very much in
advance.

  With thanks
Sincerely Dr.C.Karunakaran




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