pub_soft/apbs

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History

kozlac dbf8e48da1 Added a message in README.md informing the user that SMPBE is currently disabled in APBS.

2017-03-07 11:34:03 -08:00

..

24dup.pqr

Fixed APBS directory structure

2014-01-02 12:15:02 -08:00

apbs-smpbe-24dup.in

Fixed APBS directory structure

2014-01-02 12:15:02 -08:00

apbs-smpbe-ion.in

Fixed APBS directory structure

2014-01-02 12:15:02 -08:00

ion.pqr

Fixed APBS directory structure

2014-01-02 12:15:02 -08:00

readme.md

Added a message in README.md informing the user that SMPBE is currently disabled in APBS.

2017-03-07 11:34:03 -08:00

readme.md

README for smpbe APBS example

Due to numerical stability issues SMPBE method is currently disabled. We apologize for the inconveninece.

The example input files included in this directory solve the Size Modified PBE as described by Chu V, et al. Biophys J, 93(9):3202-9, 2007(doi:10.1529/biophysj.106.099168. SMPBE does not assume ions are infinitely small as in the standard PBE. This method uses finite ion sizes through a gas lattice formulation.