[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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