Hi, I want to perform force matching using VOTCA. My group uses LAMMPS for MD simulations. So, I am generating a '.h5' file to supply as a trajectory file to VOTCA. I do not have '.tpr' file for topology, so I am defining the atomistic topology in an xml file according to Pg. 14 in VOTCA manual.
I wanted to reconfirm if this will work. And should I supply the topology xml file as argument to '--top' option? Please clarify these doubts. Thanks in advance! Aditi. -- 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.
