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root/owl/trunk/tinker
r586
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ConstraintsMaker.java 540 (11 years ago) by duarte: Fixed mega-nasty bug: after introducing the PRMType enum, there was still one instance of the "type" variable being compared to a String in getCorrectedPdbAtomName method
PRMInfo.java 539 (11 years ago) by stehr: some refactoring in TinkerRunner and related classes (moved forceConstant parameter from constructor to reconstruct method; made force field file type an enum)
TinkerError.java 492 (11 years ago) by duarte: Copied the aglappe-jung branch into trunk.
TinkerRunner.java 574 (11 years ago) by duarte: Introduced another check in runMinimize: now we check for CHKXYZ warnings, that happened when the xyz file is somehow not well formatted. In some cases that leads to strange output in minimize.
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