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
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!
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
California Institute of Technology
Division of Chemistry
Pasadena, CA 91125
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