[gmx-users] Re: Unkwown Keyword HILLS

[Albert]

Does anybody have any idea what's the problem?

I use the tutorial example and I don't know why it doesn't work.

THX


On 08/13/2013 07:19 PM, Albert wrote:
> Dear:
>
>  I am trying to run plumed with gromacs plugin. Here is my plumed.dat 
> file which I defined two dihedral angels as cvs:
>
> *HILLS HEIGHT 0.3 W_STRIDE 450
> WELLTEMPERED SIMTEMP 310 BIASFACTOR 1.96
> TORSION LIST 1 4 65 344 SIGMA 0.12
> TORSION LIST 2 46 80 656 SIGMA 0.12
>
> ENDMETA*
>
> I am using plumed-1.3+gromacs-4.6.2 with command:
>
>
> *mpirun -np 24 mdrun_mpi -s md.tpr -plumed plumed.dat -g md.log -v -x 
> md.xtc -o md.trr -e md.edr*
>
>
> but it failed with messages:
>
>
> *starting mdrun 'protein'
> 100000000 steps, 200000.0 ps.
> !!!!! PLUMED ERROR: Line 1 Unkwown Keyword HILLS
>
> !!!!! ABORTING RUN
> !!!!! PLUMED ERROR: Line 1 Unkwown Keyword HILLS
>
> !!!!! ABORTING RUN
> --------------------------------------------------------------------------*
>
> thank you very much
>
> Albert