
               January 2011

    Standalone version of the RESP program
               Version 2.2

  Generated by the q4md-forcefieldtools team
      http://q4md-forcefieldtools.org/
          
    The RESP program is freely distributed
                See for instance 
 http://www.ccl.net/cca/software/SOURCES/FORTRAN/resp/

          Authorship: see resp.f

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- How to compile this standalone version?
tar zxvf standalone-resp-2.x.tgz
cd resp-2.x
edit the "Makefile" & set "FC = Your-fortran-compiler" (i.e. gfortran, g77, ifort, pgf77...)
make clean
make

- How to install this standalone version?
Just become superuser (or root) and/or copy the "resp" binary where it can be found/used
cp resp /usr/local/bin/ (for instance)
   or
cp resp $HOME/bin/
   or
cp resp $AMBERHOME/exe/ (overwrite the resp binary from the AMBER distribution)

- What are the differences between this standalone version and the version from the AmberTools 1.3?
Standalone version (RESP can be compiled independently of other AmberTools)
Several adaptations: resp.f & lapack.f are merged
                     qtol = 0.1d-5 (slightly increase the charge accuracy)
                     maxq = 8000, maxlgr = 900 & maxmol = 400 (allow more complex charge derivation)
                     Atomic weights (The Merck Index - Thirteeth edition) for all the elements of the periodic table

- Any question about this standalone RESP version?
See the q4md-fft mailing @ http://lists.q4md-forcefieldtools.org/ or 
    the Amber mailing list.

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  This resp version is now that used by R.E.D. Server.

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      The q4md-forcefieldtools team             
     contact@q4md-forcefieldtools.org


