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Install

Instructions for installing Force Field X on Linux, Mac OS X and Microsoft Windows are given below. For all operating systems, the Java Runtime Environment must be present.

Prerequisite: Install Java

Please install version 10 or later of the Java Development Kit (JDK) from AdoptOpenJDK. Detailed Java installation instructions for Linux, Mac OS, and Microsoft Windows are available.

Linux

LINUX

  1. In a shell execute:

    echo $JAVA_HOME

    If JAVA_HOME is not set or the JDK version is less than 10, then follow the instructions above to install Java and/or set the JAVA_HOME environment variable.

  2. Commands to unpack the three distribution formats are:

    tar -xzf ffx-1.0.0-beta-bin.tar.gz
    tar -xjf ffx-1.0.0-beta-bin.tar.bz2
    unzip ffx-1.0.0-beta-bin.zip
  3. Add the directory ffx/bin to your path. For example, if ffx is unpacked into /Users/shared/ffx, then

    • Within a BASH shell:

      export PATH="/Users/shared/ffx/bin:$PATH"
    • Within a CSH shell:

      setenv PATH "/Users/shared/ffx/bin:$PATH"

    To check please execute:

    echo $PATH
    and
    which ffxc

MacOS

MacOS

  1. Type "echo $JAVA_HOME" in a shell. The result should resemble this:

                                                echo $JAVA_HOME
                                              /Library/Java/JavaVirtualMachines/jdk-17.jdk/Contents/Home/bin/java
                                            
    If the version is less than 10, then please follow the instructions above to install Java and/or set the JAVA_HOME environment variable.
  2. Commands to unpack the distributions are:

                                            tar -xzf ffx-1.0.0-beta-bin.tar.gz
                                            tar -xjf ffx-1.0.0-beta-bin.tar.bz2
                                            unzip ffx-1.0.0-beta-bin.zip
                                        
  3. Add the directory ffx/bin to your path. For example, if ffx is unpacked into /Users/shared/ffx, then

    • Within a BASH shell:

      export PATH="/Users/shared/ffx/bin:$PATH"
    • Within a CSH shell:

      setenv PATH "/Users/shared/ffx/bin:$PATH"

    To check please execute:

                                            echo $PATH
                                            which ffxc
                                        

Microsoft Windows

MS WINDOWS

  1. Type " echo %JAVA_HOME%" at a Shell prompt.

    If JAVA_HOME is not set or the version is less than 10, then please follow the Java installation instructions above.