PTools

lp://staging/~adrien-saladin/ptools/main_modes

Created by Adrien Saladin on 2011-07-21 and last modified on 2011-07-21

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418. By asaladin on 2009-04-29: refresh cluster database if input parameters change
417. By asaladin on 2009-04-23: script to generate a docking start structure
416. By asaladin on 2009-03-04: restraint force added to Attract.py
415. By asaladin on 2009-02-26: multicopy forcefield: restraint force is now not set automatically. Few test files added to the tmp test directory
414. By asaladin on 2009-02-25: correct forces for constraints (tested by automatic differenciation). Fixed bug: Pairlists could be created more that once under some circonstances
413. By asaladin on 2009-02-25: fixed bug during constraint creation. Include restraint energy in global energy evaluation
412. By asaladin on 2009-02-25: translations for tests with 1FIN
411. By asaladin on 2009-02-25: restraint force + modifications for CG minimizer
410. By asaladin on 2009-02-24: force restraint class
409. By asaladin on 2009-02-24: restraint force compatible with multiligand

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