Hello, It appears the pressure correction for LAMMPS is not implemented.
I saw this post by Frank https://groups.google.com/d/msg/votca/Jxsdz6v9QKw/OUVfYan8CwAJ It seems like in order to make it work, you would just have to feed in the pressure from LAMMPS. What would be required for this? Could I have LAMMPS output an average pressure, and then this could be fed into pressure_cor_simple.pl as my $p_now=$ARGV[0]; ?? How does Gromacs do it? Does Gromacs calculate an average pressure and that is fed in as $ARGV[0] into the perl script? Thanks. Josh -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
