Building Lammps structures using EMC package

Creating complex shapes for Lammps

Posted by Vasilii Triandafilidi on October 12, 2018

Building structures for Lammps

  1. Install EMC by downloading the file and copying it into the lammps directory

  2. Unpack the archive by using:

    tar -xzvf <name of the file .tgz>

  3. Go into the <emc directory>

  4. Add two directories to the path:

    export PATH="/Users/bazilevs/packages/lammps/emcv9.4.3/bin:$PATH"
    export PATH="/Users/bazilevs/packages/lammps/emcv9.4.3/scripts:$PATH"
    # format of the
    export PATH="<your path to the main emc directory>/scripts:$PATH"
    1. Go into the examples cd ./examples/setup/chemistry/polymer/random
  5. Lets try to run the sample file:

    # build the emc input file
    # build the lammps and vmd files
    emc_macos build.emc
  6. After that you get the following:

Screen Shot 2018-10-11 at 1.47.25 PM

vmd -e dpd.vmd

Screen Shot 2018-10-11 at 1.53.05 PM