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more info during EM run to the screen. otherwise may feel like frozen
1 - currently only says: Fmax: 500, reached in 479 steps
need to give some basic info on what are the key EM parameters (like when it crashes on EM)
2 - write that running EM ... ... ... may be something from the mdrun -v
when finished have a bit more grand finale:
1 - write what are the files it created and where to find them
2 - [what do you think?] write how to acknowledge use of this code (one line, later to add the citation?)
The text was updated successfully, but these errors were encountered:
more info during EM run to the screen. otherwise may feel like frozen
1 - currently only says:
Fmax: 500, reached in 479 steps
need to give some basic info on what are the key EM parameters (like when it crashes on EM)
2 - write that running EM ... ... ... may be something from the
mdrun -v
when finished have a bit more grand finale:
1 - write what are the files it created and where to find them
2 - [what do you think?] write how to acknowledge use of this code (one line, later to add the citation?)
The text was updated successfully, but these errors were encountered: