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
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