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faster GROMACS
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Massimiliano Bonomi committed Apr 5, 2024
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2 changes: 1 addition & 1 deletion user-doc/tutorials/a-master-ISDD-2.txt
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Expand Up @@ -178,7 +178,7 @@ This default choice should be reasonable for most applications.
Once your `plumed.dat` file is complete, you can run a 10-ns long metadynamics simulations with the following command:

\verbatim
gmx_mpi mdrun -s topol.tpr -nsteps 5000000 -plumed plumed.dat
gmx_mpi mdrun -s topol.tpr -nsteps 5000000 -plumed plumed.dat -ntomp 1
\endverbatim

During the metadynamics simulation, PLUMED will create two files, named `COLVAR` and `HILLS`.
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Found broken examples in automatic/a-masterclass-22-09.txt
Found broken examples in automatic/a-masterclass-22-11.txt
Found broken examples in automatic/a-masterclass-22-12.txt
Found broken examples in automatic/performance-optimization.txt
Found broken examples in automatic/a-trieste-6.txt
Found broken examples in automatic/munster.txt
Found broken examples in automatic/ANN.tmp
Found broken examples in automatic/EDS.tmp
Found broken examples in automatic/EMMI.tmp
Found broken examples in automatic/ENVIRONMENTSIMILARITY.tmp
Found broken examples in automatic/FOURIER_TRANSFORM.tmp
Found broken examples in automatic/FUNCPATHGENERAL.tmp
Found broken examples in automatic/FUNCPATHMSD.tmp
Found broken examples in automatic/FUNNEL.tmp
Found broken examples in automatic/FUNNEL_PS.tmp
Found broken examples in automatic/GHBFIX.tmp
Found broken examples in automatic/INCLUDE.tmp
Found broken examples in automatic/MAZE_OPTIMIZER_BIAS.tmp
Found broken examples in automatic/MAZE_RANDOM_ACCELERATION_MD.tmp
Found broken examples in automatic/MAZE_SIMULATED_ANNEALING.tmp
Found broken examples in automatic/MAZE_STEERED_MD.tmp
Found broken examples in automatic/PIV.tmp
Found broken examples in automatic/PLUMED.tmp
Found broken examples in MiscelaneousPP.md

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