.. _config_ref paths:

``paths``
=========

Allows user to specify paths for certain resources, including external applications.  By default, ``pestifer``
expects that all external applications are already in the user's PATH.  If not, this attribute should be used
to specify the paths to these applications.


Single-valued attributes:

  * ``namd2``: Path for namd2 executable (default: namd2)

  * ``namd3``: Path for namd3 executable, CPU version (default: namd3)

  * ``namd3gpu``: Path for the GPU-resident namd3 executable. Defaults to namd3 (same binary), which is correct when a single module-loaded binary handles both CPU and GPU modes. On a workstation where the GPU-resident build is a separate binary, set this to its path. (default: namd3)

  * ``charmrun``: Path for charmrun executable (default: charmrun)

  * ``vmd``: Path for vmd executable (default: vmd)

  * ``packmol``: Path to packmol executable (default: packmol)

  * ``catdcd``: Path to catdcd executable (default: catdcd)



.. raw:: html

   <div class="autogen-footer">
     <p>This page was generated by ycleptic v2.0.6 on 2026-05-28.</p>
   </div>