Hi, I have LAMMPS atomistic trajectory (.dump format). I have been trying to use the csg_stat tool that generate the target distributions of the cg stystem but I have not been able to decipher the way the topology.xml file has to be written. Would it be possible that you provide an example on how this file should be written for a molecule like hexane? In addition, I would like to ask if it would be possible to perform force matching given a .dump LAMMPS trajectory.
Best regards, Christianna Gatsiou -- 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.
