User contributions for Guentert
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18 February 2009
- 23:2323:23, 18 February 2009 diff hist −27 INCLAN: do →See also
- 23:1723:17, 18 February 2009 diff hist +2 INCLAN: do →See also
- 23:1623:16, 18 February 2009 diff hist +34 INCLAN: do No edit summary
- 23:1423:14, 18 February 2009 diff hist +114 INCLAN: do No edit summary
- 23:0823:08, 18 February 2009 diff hist −380 INCLAN: break →Description
- 22:3522:35, 18 February 2009 diff hist −39 INCLAN: break →Synopsis
- 22:2822:28, 18 February 2009 diff hist +2 INCLAN: exit →Description
- 22:2822:28, 18 February 2009 diff hist +2 INCLAN: return →Description
- 22:2722:27, 18 February 2009 diff hist +59 INCLAN: return →Description
- 22:2722:27, 18 February 2009 diff hist +175 N INCLAN: return New page: == Synopsis == '''return''' == Description == Exits from the current macro and returns to the calling macro or, if the macro was called interactively, to interactive input.
- 22:2522:25, 18 February 2009 diff hist +70 N INCLAN: quit New page: == Synopsis == '''quit''' == Description == Exits from the program. current
- 22:2422:24, 18 February 2009 diff hist −11 INCLAN: exit →Description
- 22:2422:24, 18 February 2009 diff hist +159 N INCLAN: exit New page: == Synopsis == '''exit''' == Description == Returns from a macro to interactive input. If used interactively, the '''exit''' command exits from the program.
- 22:2222:22, 18 February 2009 diff hist +27 N INCLAN: break, exit, quit, return INCLAN: break, exit, quit, return moved to INCLAN: break current
- 22:2222:22, 18 February 2009 diff hist 0 m INCLAN: break INCLAN: break, exit, quit, return moved to INCLAN: break
- 22:2222:22, 18 February 2009 diff hist +56 INCLAN: break No edit summary
9 February 2009
- 16:4216:42, 9 February 2009 diff hist +39 Target function No edit summary current
- 16:4016:40, 9 February 2009 diff hist −10 Coordinate generation No edit summary
- 16:2916:29, 9 February 2009 diff hist +1,523 Coordinate generation →Coordinate generation
- 15:3615:36, 9 February 2009 diff hist +2 Coordinate generation →References
- 15:3615:36, 9 February 2009 diff hist +18 Coordinate generation →Torsion angles
- 15:2115:21, 9 February 2009 diff hist +676 Coordinate generation →Torsion angles
- 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
