[gmx-users] Parameterfile: Unknown left-hand...

Mehmet Suezen suzen at theochem.tu-muenchen.de
Tue Mar 19 11:42:06 CET 2002


David van der Spoel wrote:
> 
> On Mon, 18 Mar 2002, Mehmet Suezen wrote:
> 
> >Dear GRomacs users,
> >
> >What is the significance of following warning messages?
> >
> >Back Off! I just backed up mdout.mdp to #mdout.mdp#
> >Warning 1 [file silica_ttam10ps.mdp, line unknown]:
> >  Unknown left-hand coulombtype in parameter file
> >
> >Warning 2 [file silica_ttam10ps.mdp, line unknown]:
> >  Unknown left-hand rcoulomb in parameter file
> >
> >Warning 3 [file silica_ttam10ps.mdp, line unknown]:
> >  Unknown left-hand vdwtype in parameter file
> >
> >Warning 4 [file silica_ttam10ps.mdp, line unknown]:
> >  Unknown left-hand rvdw in parameter file
> >
> >Warning 5 [file silica_ttam10ps.mdp, line unknown]:
> >  Unknown left-hand DispCorr in parameter file
> >
> >Warning 6 [file silica_ttam10ps.mdp, line unknown]:
> >  Unknown left-hand anneal in parameter file
> >
> >What may cause this warnings? Would this has an affect on simulation?
> 
> compare to mdout.mdp (use diff) maybe some unreadable character?
> attach the parameter file to another mail...
> 
> Groeten, David.

I have figure out that  energy parameters  has defined twice.
Now I do not have such warnings. Sorry for bothering all.

Cheerz,
Mehmet



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