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updates to TINKER 8.4.3 to support linking with the current version of APBS on GitHub #37

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@mjschnie mjschnie commented Apr 3, 2018

Minor changes are made to source/pmpb.c

TINKER style compapbs.make and linkapbs.make are supplied for MacOS.

Also supplied is an APBS "apbscfg.h" file, although its not clear where the ideal place to put this is? A new version of this file is created whenever APBS is configured and built, but this new file is not deployed to /usr/local. It may be better that the TINKER linkapbs.make points to the "new" apbscfg.h that's part of the APBS build directory, rather than having a version that's part of the TINKER source tree that may disagree with the actual APBS build.

mjschnie and others added 5 commits April 3, 2018 17:26
…R array; by default the SOLUTE force field terms are used to assign solute radii for AMOEBA GK and PB calculations; previous solute radii defintions can be used instead via the GK-RADIUS or PB-RADIUS keywords
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