On Tue, Mar 26, 2019, 17:49 Aditi Khot <[email protected]> wrote: > 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. > Yes, that should be fine, you can combine pretty much all topology files with all trajectory files.
Christoph > > 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. > -- 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.
