Hi Frank -

Although we don't keep an active archive of the documentation, each APBS source tarball should contain a "doc/" directory with the current documentation.  So you should be able to grab the 0.2.4 release from SourceForge and examine the instruction manual as needed.

The keyword conversions are listed in the ChangeLog under the APBS 0.3.0 release:

  * Added following aliases for some of the more obscure parameters in the
      input files:
        chgm 0 ==> chgm spl0
        chgm 1 ==> chgm spl2
        srfm 0 ==> srfm mol
        srfm 1 ==> srfm smol
        srfm 2 ==> srfm spl2
        bcfl 0 ==> bcfl zero
        bcfl 1 ==> bcfl sdh
        bcfl 2 ==> bcfl mdh
        bcfl 4 ==> bcfl focus
        calcenergy 0 ==> calcenergy no
        calcenergy 1 ==> calcenergy total
        calcenergy 2 ==> calcenergy comps
        calcforce 0 ==> calcforce no
        calcforce 1 ==> calcforce total
        calcforce 2 ==> calcforce comps
      Example input files have been updated to reflect this change.  NOTE:
      the code is backward-compliant; i.e., old input files WILL still work.

I believe the convergence criteria remains the same, but I'll have to check with Nathan to be sure.

Let me know if there's anything else I can do to help!


On 1/17/06, Frank D Ducheneaux <frankd@its.caltech.edu> wrote:
Hey All,

I am trying to reproduce some earlier work.  The work was done with
version 0.2.4 and my group is using version 0.3.2.  First, is there any
archive or such available where I can find the instruction manual for the
earlier version?  Second, I want to make sure that some keyword options
that I am using for both versions are the same.  For BCFL is = 0, what is
the equivalent in 0.3.2?  Is the default convergence criteria the same in


"A hard life is not one full of trial and rigor, but one bereft of option
and opportunity"

Frank Ducheneaux
California Institute of Technology
Division of Chemistry
M/C 127-72
Pasadena, CA 91125

626-395-2844 (office)
626-226-6960 (home/cell)

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