User contributions for Guentert
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9 February 2009
- 15:1115:11, 9 February 2009 diff hist 0 Coordinate generation →Tree structure
- 15:1115:11, 9 February 2009 diff hist +72 Coordinate generation →Tree structure
- 15:0815:08, 9 February 2009 diff hist +40 Coordinate generation →Tree structure
- 15:0715:07, 9 February 2009 diff hist +14 N File:TreeStructure.jpg Tree structure current
- 15:0615:06, 9 February 2009 diff hist +6,569 N Coordinate generation New page: == Tree structure == Structure calculations with the program CYANA work in torsion angle space. Since the degrees of freedom are torsion angles but distance restraints are defined by the ...
- 14:5814:58, 9 February 2009 diff hist +2 Torsion angle dynamics →Potential energy = target function
- 14:5714:57, 9 February 2009 diff hist +2 Torsion angle dynamics →Leap-frog algorithm
- 14:5614:56, 9 February 2009 diff hist +25 Torsion angle dynamics →Equations of motion
- 14:3014:30, 9 February 2009 diff hist +13 Torsion angle dynamics →Acceleration calculation
- 14:2914:29, 9 February 2009 diff hist +12 Torsion angle dynamics →Time step
- 14:2814:28, 9 February 2009 diff hist +83 Torsion angle dynamics →Time step
- 14:2614:26, 9 February 2009 diff hist +212 Torsion angle dynamics →Acceleration calculation
- 14:2214:22, 9 February 2009 diff hist +112 Torsion angle dynamics →Time step
- 14:1914:19, 9 February 2009 diff hist +56 Torsion angle dynamics →Time step
- 14:1914:19, 9 February 2009 diff hist 0 File:Schedule.jpg uploaded a new version of "Image:Schedule.jpg": Simulated annealing schedule current
- 14:1814:18, 9 February 2009 diff hist +12 N File:Schedule.jpg TAD schedule
- 14:0214:02, 9 February 2009 diff hist +34 Torsion angle dynamics →Time step
7 February 2009
- 00:1000:10, 7 February 2009 diff hist −8 Torsion angle dynamics →Time step
- 00:1000:10, 7 February 2009 diff hist −6 Torsion angle dynamics →Time step
6 February 2009
- 23:5023:50, 6 February 2009 diff hist 0 Torsion angle dynamics →Equations of motion
- 23:4723:47, 6 February 2009 diff hist +39 Torsion angle dynamics →Potential energy = target function
- 23:4523:45, 6 February 2009 diff hist +8 Torsion angle dynamics →NMR structure calculation versus molecular dynamics simulation
- 23:4223:42, 6 February 2009 diff hist −1 Torsion angle dynamics →Equations of motion
- 23:4223:42, 6 February 2009 diff hist +39 Torsion angle dynamics →Equations of motion
- 23:4023:40, 6 February 2009 diff hist −12 Torsion angle dynamics →Tree structure
- 23:3923:39, 6 February 2009 diff hist 0 File:TreeStructureRigidBodies.jpg uploaded a new version of "Image:TreeStructureRigidBodies.jpg": Tree structure of rigid bodies current
- 23:3823:38, 6 February 2009 diff hist +20 N File:CPUtimeVsSize.jpg CPU time versus size current
- 23:1023:10, 6 February 2009 diff hist +140 Torsion angle dynamics →Tree structure
- 22:5222:52, 6 February 2009 diff hist 0 Torsion angle dynamics →Tree structure
- 22:5222:52, 6 February 2009 diff hist +14 Torsion angle dynamics →Tree structure
- 22:5022:50, 6 February 2009 diff hist +22 Torsion angle dynamics →Equations of motion
- 22:4922:49, 6 February 2009 diff hist +22 Torsion angle dynamics →Equations of motion
- 22:4622:46, 6 February 2009 diff hist −6 Torsion angle dynamics →Tree structure
- 22:4522:45, 6 February 2009 diff hist −2 Torsion angle dynamics →Tree structure
- 22:4522:45, 6 February 2009 diff hist −9 Torsion angle dynamics →Tree structure
- 22:4222:42, 6 February 2009 diff hist +147 Torsion angle dynamics →Tree structure
- 18:4818:48, 6 February 2009 diff hist +75 Torsion angle dynamics →Tree structure
- 18:3818:38, 6 February 2009 diff hist +85 Torsion angle dynamics →Tree structure
- 18:3718:37, 6 February 2009 diff hist +2 Torsion angle dynamics →Tree structure
- 18:3418:34, 6 February 2009 diff hist 0 Torsion angle dynamics →Tree structure
- 18:3418:34, 6 February 2009 diff hist −7 Torsion angle dynamics →Tree structure
- 18:3218:32, 6 February 2009 diff hist +11 Torsion angle dynamics →Tree structure
- 18:3118:31, 6 February 2009 diff hist +38 Torsion angle dynamics →Tree structure
- 18:3018:30, 6 February 2009 diff hist +30 N File:TreeStructureRigidBodies.jpg Tree structure of rigid bodies
- 18:2918:29, 6 February 2009 diff hist +2 Torsion angle dynamics →Kinetic energy
- 18:2318:23, 6 February 2009 diff hist −124 Torsion angle dynamics No edit summary
- 17:1717:17, 6 February 2009 diff hist +16 Torsion angle dynamics →References
- 17:1517:15, 6 February 2009 diff hist +1 Torsion angle dynamics No edit summary
- 14:0514:05, 6 February 2009 diff hist +39,764 N Torsion angle dynamics New page: == Introduction == === Torsion angle dynamics versus other structure calculation algorithms == The structure calculation algorithm in CYANA is based on the idea of simulated annealing (K...
- 14:0114:01, 6 February 2009 diff hist +155 CYANA 3.0 Reference Manual →Input files
