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• 13:05, 23 May 2013 Michael Shirts talk contribs uploaded a new version of File:Expanded.mdp
• 13:04, 23 May 2013 Michael Shirts talk contribs uploaded a new version of File:Expanded.mdp (fixed typo in tcoupl)
• 12:07, 17 May 2013 Michael Shirts talk contribs uploaded a new version of File:Expanded.mdp (Suggestions for running in single precision)
• 20:28, 15 April 2013 Michael Shirts talk contribs moved page Gromacs 4.6 example: Direct ethanol solvation free energy to GROMACS 4.6 example: Direct ethanol solvation free energy (fixing capitalization)
• 20:27, 15 April 2013 Michael Shirts talk contribs moved page Gromacs 4.6 example: Ethanol solvation with expanded ensemble to GROMACS 4.6 example: Ethanol solvation with expanded ensemble (fixing calculation)
• 20:25, 15 April 2013 Michael Shirts talk contribs uploaded File:Expanded.mdp (File for running expanded ensemble calculations)
• 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)

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