[gmx-users] Warnings in runing tutorial files

sina s_sina2003 at yahoo.com
Wed May 31 07:28:05 CEST 2006


Dear all,
   I tried to run the tutorial examples. Although, for one of them (speptide) the process was implemented successfully, but, for the other examples (water, methanol and mixed) surprisingly I got the following error when I tried to execute grompp –v command:
   -------------------------------------------------------------
  creating statusfile for 1 node...
   
  Back Off! I just backed up mdout.mdp to ./#mdout.mdp.2#
  WARNING 1 [file grompp.mdp, line unknown]:
  Unknown left-hand init_step in parameter file
   
  WARNING 2 [file grompp.mdp, line unknown]:
  Unknown left-hand nbfgscorr in parameter file
   
  WARNING 3 [file grompp.mdp, line unknown]:
  Unknown left-hand nstcheckpoint in parameter file
   
  WARNING 4 [file grompp.mdp, line unknown]:
  Unknown left-hand table-extension in parameter file
   
  WARNING 5 [file grompp.mdp, line unknown]:
  Unknown left-hand gb_algorithm in parameter file
   
  WARNING 6 [file grompp.mdp, line unknown]:
  Unknown left-hand nstgbradii in parameter file
   
  WARNING 7 [file grompp.mdp, line unknown]:
  Unknown left-hand rgbradii in parameter file
   
  WARNING 8 [file grompp.mdp, line unknown]:
  Unknown left-hand gb_saltconc in parameter file
   
  WARNING 9 [file grompp.mdp, line unknown]:
  Unknown left-hand implicit_solvent in parameter file
   
  WARNING 10 [file grompp.mdp, line unknown]:
  Unknown left-hand andersen_seed in parameter file
   
  Fatal error: Too many warnings, grompp terminated
   -------------------------------------------------------------
  Can you help me about  this error?
  I appreciate all of your notification and instructions. 
   
  Best Regards;
  Sina 

		
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