I want to relax around 3K structures. Also, I have a movemap file for each of these structures. How do I trigger mpi runs for relax with movemap files?
Earlier, when I did not need the movemaps, I used the following command:
mpiexec -np 32 $ROSETTA/bin/relax.mpi.macosclangrelease -in:file:l <pdb list file> -nstruct 20
But, now I want to perform relax with move map associated with each of the pdb file in the pdb list file. How do I do it?