NAMD

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Installing

These instructions were originally tested on a LittleFe cluster running BCCD revision 3.4.0-rc.5300 (build date 2015-9-3) and using the Ice Weasel web browser.

For support, please contact the BCCD developers mailing list, bccd-developers at googlegroups dot com.

  1. Prepare an installation directory:
    sudo mkdir /opt/namd<ENTER>
  2. Make the installation directory visible in the default shell:
    echo "export PATH=\${PATH}:/opt/namd">>~/.bash_profile<ENTER>
  3. Update the current shell:
    source ~./bash_profile<ENTER>
  4. Download the software using a web browser (e.g. Ice Weasel):
    1. Navigate to the NAMD download page.
    2. Find the latest version that is NOT the Nightly Build (as of this writing, the latest version is 2.11b2).
    3. Click the link for Linux-x86_64 (64-bit Intel/AMD with ethernet).
    4. Follow the instructions to register and/or download.
    5. Choose to save the downloaded file instead of opening with /bin/tar.
  5. Install the software using a terminal window:
    1. Change directories to the downloads folder:
      cd ~/Downloads<ENTER>
    2. Confirm the downloaded file is there (as of this writing, it is called NAMD_2.11b2_Linux-x86_64.tar.gz):
      ls<ENTER>
    3. Unpack the downloaded file into the installation directory you created:
      sudo tar -C /opt/namd --strip-components=1 -xzvf NAMD_2.11b2_Linux-x86_64.tar.gz<ENTER>

You should now be able to run the commands namd2, charmrun, etc, as described in the NAMD documentation.

For support, please contact the BCCD developers mailing list, bccd-developers at googlegroups dot com.

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