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Install

After downloading Force Field X, please follow the instructions below to complete installation on Linux, Apple MacOS or Microsoft Windows. For all operating systems, the Java Runtime Environment must be present.

Prerequisite: Install Java

Please install version 21 of the Java Development Kit (JDK) from Oracle. Detailed installation instructions for are available for Linux, Mac OS, and Microsoft Windows. Both x64 and Arm64 architectures are supported on Linux and MacOS.

Linux

Linux

  1. In a shell execute:

    echo $JAVA_HOME

    If JAVA_HOME is not set or the JDK version is less than 21, 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-bin.tar.gz
    tar -xjf ffx-1.0.0-bin.tar.bz2
    unzip ffx-1.0.0-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

Apple MacOS

Apple MacOS

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

    echo $JAVA_HOME
    /Library/Java/JavaVirtualMachines/jdk-21.jdk/Contents/Home/bin/java
    If the version is less than 21, 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-bin.tar.gz
    tar -xjf ffx-1.0.0-bin.tar.bz2
    unzip ffx-1.0.0-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

Microsoft Windows

Microsoft Windows

On Microsoft Windows, we recommend using Git Bash.

Both the Powershell and Cygwin environments are also actively tested and compatible.

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

    IfJAVA_HOMEis not set or the version is less than 21, then please follow the Java installation instructions above.

  2. Git Bash offers the tar command to unpack a distribution:

    tar -xzf ffx-1.0.0-bin.tar.gz
    tar -xjf ffx-1.0.0-bin.tar.bz2

  3. Add the directory ffx/bin to your path. For example, if ffx is unpacked into /Users/shared/ffx, then within your Git Bash shell: 

    export PATH="/Users/shared/ffx/bin:$PATH"

    To check please execute: 

    echo $PATH
    and 
    which ffxc