
                     #####################################
                     APBS Directory for the Tinker Package
                     #####################################

      This directory contains static libraries and header files required
      to interface the Tinker package with the APBS 1.3 Poisson-Boltzmann
      code written by Nathan Baker and coworkers. To build APBS-capable
      Tinker executables, use the Tinker source file "pmpb.c" in place of
      the stub file "pmpb.f", then link with APBS libraries found here.

      Supplied APBS libraries are built with the GNU compilers. Libraries
      are not supplied with some versions of the Tinker distribution. In
      that case, you should obtain APBS 1.3 from the internet, and build
      your own APBS libraries for your desired operating system. The full
      instructions for building APBS libraries are provided below.

      Note that APBS 1.3 is the earliest version of APBS compatible with
      Tinker. Later versions of APBS should work as well, but we have not
      tested them. The header/include files distributed with Tinker are
      taken from the original APBS 1.3 distribution.

      The /apbs/test directory contains benchmarks tests and results for
      several small proteins when run from within Tinker.

               #################################################
               Building APBS Libraries Needed for Tinker Support
               #################################################

      To build the APBS libraries needed for Tinker, first obtain the
      APBS 1.3 version from the internet, then follow this procedure:

      Use the following "configure" command to build an APBS with the
      libraries needed to link with Tinker. Please be sure to change the
      --prefix directory to the APBS 1.3 installation and --with-python
      option to the system Python 2 executable.

            ./configure --enable-tinker --disable-zlib \
            --prefix=/home/ponder/apbs-1.3 \
            --with-python=/usr/bin/python2 \
            CFLAGS=-DVAPBSQUIET CXXFLAGS=-DVAPBSQUIET \
            FFLAGS=-DVAPBSQUIET

      The libraries for APBS support in Tinker will be in the /lib and
      /contrib/lib sibdirectories of the APBS distribution, and consist
      of libapbsmainroutines.a, libapbs.a, libmaloc.a and libapbsblas.a.
      These libraries should be moved under the /apbs/lib directory of
      the Tinker distribution.

      You can then build a Tinker version with APBS capability by using
      Makefile-apbs from the /make area of the Tinker distirbution.

