Hi everyone, I tried to use mdrun to get the .mtx file, but it does not work, I mean...no mtx file output. Below is the command I used in the scripts of my last two trial.
1) ## To run on 16 cpus #PBS -l nodes=2:ppn=8 ## program to run mpirun -np $NCPUS mdrun_mpi -mtx em.mtx -deffnm em 2) ## program to run mpirun -np $NCPUS mdrun_mpi -s em.tpr -mtx em.mtx Thanks and best, lina
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