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root/owl/trunk/tinker
r543
File Last Change
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TinkerError.java 492 (12 years ago) by duarte: Copied the aglappe-jung branch into trunk.
PRMInfo.java 539 (12 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)
ConstraintsMaker.java 540 (12 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
TinkerRunner.java 541 (12 years ago) by duarte: Added a FAST switch to reconstruct and a reconstructFast method in TinkerRunner: without simulated annealing tinker runs much faster.
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