[gmx-users] gmx311 on Origin2000

Valentin Gogonea v.gogonea at csuohio.edu
Wed Jun 26 18:38:13 CEST 2002


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?

Thank you for your help.

Valentin




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