[gmx-users] gmx311 on Origin2000

[David]

On Wed, 2002-06-26 at 18:38, Valentin Gogonea wrote:
> Dear gromacs users,
> 
> I try to run grompp (gmx311) on Origin2000 at NCSA.  I got the following 
> error and warning:
> 
> ERROR: invalid enum 'berendsen' for variable tcoupl, using 'no'
> Next time use one of: 'no' 'yes'
> Warning 1 [file md.mdp, line unknown]:
>    Unknown left-hand pbc in parameter file
> 
> I had no problem running with gmx311 on MacOX. Does anybody has an idea 
> why 'berendsen' is not recognized as a variable for t coupling?
It's probably an older version (before 3). Check a program like grompp
by grompp -h and see what version number it prints. 

> Thank you for your help.
> 
> Valentin
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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