This is a README pertaining the changes made to implement
  the Neutralised Polarised Surface Area implicit solvent model in
  Amber8.

    Changes in source code have only been made to sander.
    The OFF libraries npsa03.lib and npsa94.lib have been added and
  can be found in the directory dat/contrib/npsa; this library is
  used with t/xleap to neutralise and polarise the system.
  To add this directory to leap's search path you can invoke tleap
  with the argument '-I $AMBERHOME/dat/contrib/npsa'.
    To test, if the code is working, a case was installed in the test
  directory (test/npsa).
    For an introduction to how to use RAMD in AMBER8, an example can
  be found in the directory examples/npsa.  Instructions on usage
  are included in the README in the mentioned directory.
  
  You can find a README.npsa and a CHANGES.npsa file in the src/sander
  subdirectory, pointing out and explaining the changes to the source
  code.
  
  The code and the OFF library were written by Dr. Ting Wang, EML
  Research gGmbH, Heidelberg, Germany
  (email: ting.wang@eml-r.villa-bosch.de).
  
  The NPSA model has been described in:
  - Wang, T and Wade, RC:  Implicit Solvent Models for Flexible
  Protein-protein Docking by Molecular Dynamics Simulation.  Proteins,
  50, (2003) 158-169.
  - Wang, T and Wade, RC:  Force Field Effects on a Beta-Sheet Protein
  Domain Structure in Thermal Unfolding Simulations.  J. Chem. Theory
  Comput. (2006) 2, 140 -148.
  

   2005/12/05
   Tim Johann <mcmsoft@eml-r.villa-bosch.de>,
   EML Research gGmbH,
   Heidelberg, Germany.