VMD-L Mailing List

From: winardi, erik (egw24_at_yahoo.com)
Date: Mon Aug 29 2011 - 12:20:31 CDT

Dear VMD users, I have questions about using the lammps.trj output from VMD.  1. I tried to use the lammps.trj format datafile for lammps data input, I am guessing that I can't use the output of lammps.trj for lammps input file. I understand that VMD can use the topo writelammpsdata command to provide the initial structure data to lammps. I just curious when do we need to provide this lammps.trj data in lammps? 2. I went trough the topotools website but I couldn't find how the data format for topo writelammpsdata is written. I am trying to make a converter for different data format to be converted to lammps data format. It would be great if I could get the format of writting the initial lammps molecule data. Many Thanks,  Erik