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Combined display of all available logs of AlchemistryWiki. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).
(newest | oldest) View (newer 50 | older 50) (20 | 50 | 100 | 250 | 500)- 06:27, 15 April 2013 User account Bltlb talk contribs was created
- 07:46, 29 March 2013 User account Spiwokv talk contribs was created
- 11:51, 12 March 2013 User account Lunadrift talk contribs was created
- 07:55, 4 March 2013 User account Badbubu talk contribs was created
- 09:09, 21 February 2013 User account ReinierAkkermans talk contribs was created
- 20:24, 14 February 2013 Michael Shirts talk contribs moved page Free Energy Introduction to Free Energy Fundamentals (match the category title)
- 20:24, 14 February 2013 Michael Shirts talk contribs moved page Theoretic Principles to Free Energy Introduction (Create it as an introduction page)
- 20:24, 14 February 2013 Michael Shirts talk contribs deleted page Free Energy Introduction (Deleted to make way for move)
- 10:01, 5 February 2013 Michael Shirts talk contribs moved page Gromacs ethanol direct 46 to Gromacs 4.6 example: Direct ethanol solvation free energy (More descriptive page)
- 20:50, 23 January 2013 Michael Shirts talk contribs uploaded a new version of File:Ethanol.mdp (added the calc-lambda-neighbors keyword now required in 4.6)
- 08:21, 9 January 2013 User account ElijahCarson talk contribs was created
- 11:50, 4 January 2013 User account Bszimmerman talk contribs was created
- 15:43, 3 January 2013 Michael Shirts talk contribs uploaded File:Ethanol.mdp (Gromacs .mdp file for ethanol free energy calculations. This will need to be copied to nine new files, one for each value of the lambda coupling variable init_fep_lambda)
- 15:11, 3 January 2013 Michael Shirts talk contribs uploaded File:Ethanol.top (Gromacs .top file for Ethanol in TIP3P water parameterized with OPLS-AA)
- 15:09, 3 January 2013 Michael Shirts talk contribs uploaded File:Ethanol.gro (A gro file for ethanol in water.)
- 09:57, 26 October 2012 Lnaden talk contribs uploaded File:T4-Tol-Imp-Well.png (Added a well to the T4-Toluene system)
- 09:36, 26 October 2012 Lnaden talk contribs uploaded File:T4-Tol-Pull.gif (Pulling animation for toluene)
- 13:20, 25 October 2012 Lnaden talk contribs uploaded File:Implicit color.png (Empty Implicit Solvent Box)
- 13:15, 25 October 2012 Lnaden talk contribs uploaded File:T4-Imp.png (T4 in implicit solvent without toluene present)
- 13:14, 25 October 2012 Lnaden talk contribs uploaded File:T4-Tol-Imp.png (T4 Lysozyme and Toluene in an implicit solvent)
- 13:13, 25 October 2012 Lnaden talk contribs uploaded File:Tol-Nosol.png (Toluene up close, again but for tandem use with example)
- 13:12, 25 October 2012 Lnaden talk contribs uploaded File:Tol-Imp.png (Implicit solvent toluene)
- 11:04, 25 October 2012 Lnaden talk contribs moved page Example: Solvation of OPLS-AA Ethanol in TIP3P Water to Example: Absolute Solvation Free Energy (Moved to a more descriptive title)
- 10:37, 25 October 2012 Lnaden talk contribs moved page Example: Binding to T4 Lysozyme to Example: Relative Binding Affinity (Moved to a more descriptive title)
- 00:22, 25 October 2012 User account Corrinla talk contribs was created
- 15:47, 16 October 2012 Lnaden talk contribs uploaded File:Ethanol in vac small.png (Ethanol in a vacuum environment, small picture to better see whats going on. Rendered in VMD)
- 15:46, 16 October 2012 Lnaden talk contribs uploaded File:TIP3P-Ethanol small.png (Small water box with an ethanol in place. Not equilibrated, rendered in VMD)
- 15:45, 16 October 2012 Lnaden talk contribs uploaded File:TIP3PBox small.png (small TIP3PBox with an ethanol cavity. Not equilibrated, rendered in VMD)
- 15:37, 10 October 2012 Lnaden talk contribs uploaded File:Toluene Phenol Topology.png
- 12:54, 10 October 2012 Lnaden talk contribs uploaded File:Doublearrowupdown.png (Double arrow, pointing down and up)
- 08:54, 10 October 2012 Lnaden talk contribs uploaded File:Blackbox.png (A nice simple black box, for use in examples)
- 08:17, 10 October 2012 Lnaden talk contribs uploaded File:Plus sign.jpg (Simple plus sign, for use in examples )
- 08:12, 10 October 2012 Lnaden talk contribs uploaded File:Ethanol in vac.png (Ethanol by itself, but the boundary is expanded to show a "box" that it is free to explore. All atom, rendered in VMD)
- 07:57, 10 October 2012 Lnaden talk contribs uploaded a new version of File:Waterbox.png (New water box based on where an ethanol should be instead of ethane.)
- 07:55, 10 October 2012 Lnaden talk contribs uploaded File:TIP3P-Ethanol.png (Ethanol in a TIP3P water box. All atom, rendered in VMD)
- 07:55, 10 October 2012 Lnaden talk contribs uploaded File:Ethanol.png (Ethanol, all atom, rendered in VMD)
- 13:53, 9 October 2012 Lnaden talk contribs uploaded File:Doublearrow.png
- 12:41, 9 October 2012 Lnaden talk contribs uploaded File:Toluene.png (Toluene, Rendered in VMD)
- 12:40, 9 October 2012 Lnaden talk contribs uploaded File:T4-Toluene.png (T4-lysozyme with a Toluene at the binding site, Rendered in VMD)
- 12:40, 9 October 2012 Lnaden talk contribs uploaded File:T4-Phenol.png (T4-lysozyme with a Phenol at the binding site, Rendered in VMD)
- 12:39, 9 October 2012 Lnaden talk contribs uploaded File:T4-lysozyme.png (T4-lysozyme protein in implicit solvent. Rendered in VMD)
- 12:38, 9 October 2012 Lnaden talk contribs uploaded File:Phenol.png (Phenol, rendered in VMD)
- 11:58, 9 October 2012 Lnaden talk contribs uploaded File:Waterbox.png (TIP3P water box, not equilibrated, void present where an ethane should be)
- 11:57, 9 October 2012 Lnaden talk contribs uploaded File:Ethanebox.png (Box of TIP3P water molecules and an ethane)
- 18:56, 8 October 2012 Michael Shirts talk contribs moved page Intermediate States to Constructing a Pathway of Intermediate States (Not clear)
- 18:00, 8 October 2012 Michael Shirts talk contribs moved page Theoretic Principals to Theoretic Principles (Name mispelled)
- 11:54, 30 September 2012 Lnaden talk contribs uploaded File:Bootstrap Comparison.png
- 12:50, 28 September 2012 Lnaden talk contribs uploaded File:Cmbox deletion.png
- 12:42, 28 September 2012 Lnaden talk contribs uploaded File:Template-info.png
- 12:32, 28 September 2012 Lnaden talk contribs deleted page Methods and Simulation Workflow (Put the data in places that made more sense. I'm not sure there would be enough content to justify a full page)
