[gmx-users] Unkwown Keyword HILLS

Albert mailmd2011 at gmail.com
Tue Aug 13 19:19:19 CEST 2013


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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