User contributions for Phunt

20 April 2019

• 14:5914:59, 20 April 2019 diff hist +359 Talk:Mod:Hunt Research Group/Starting MD →create the starting simulation box for your MD package
• 14:5514:55, 20 April 2019 diff hist 0 Talk:Mod:Hunt Research Group/Starting MD →create the starting simulation box for your MD package
• 14:5414:54, 20 April 2019 diff hist 0 Talk:Mod:Hunt Research Group/Starting MD →create the starting simulation box for your MD package
• 14:5014:50, 20 April 2019 diff hist +3 Talk:Mod:Hunt Research Group/Starting MD No edit summary
• 14:4214:42, 20 April 2019 diff hist +46 Talk:Mod:Hunt Research Group/gromacs energy relax No edit summary
• 14:3114:31, 20 April 2019 diff hist +128 Talk:Mod:Hunt Research Group/EquilibrationandProduction No edit summary
• 14:2914:29, 20 April 2019 diff hist −559 Talk:Mod:Hunt Research Group/Starting MD No edit summary
• 14:2914:29, 20 April 2019 diff hist +571 Talk:Mod:Hunt Research Group/gromacs energy relax No edit summary
• 14:2814:28, 20 April 2019 diff hist +13 Talk:Mod:Hunt Research Group/gromacs energy relax No edit summary
• 14:2814:28, 20 April 2019 diff hist +805 N Talk:Mod:Hunt Research Group/gromacs energy relax Created page with "==file== integrator = steep nsteps = 5000 emtol = 100 emstep = 0.01 niter = 20 nbfgscorr =..."
• 14:2714:27, 20 April 2019 diff hist +16 Talk:Mod:Hunt Research Group/Starting MD No edit summary
• 14:2414:24, 20 April 2019 diff hist +929 Talk:Mod:Hunt Research Group/Starting MD No edit summary
• 11:2311:23, 20 April 2019 diff hist +768 Talk:Mod:Hunt Research Group/gromacs control MD No edit summary
• 11:1111:11, 20 April 2019 diff hist +1,764 N Talk:Mod:Hunt Research Group/gromacs control MD Created page with "==example input== <pre> integrator = md # use leap-frog, note velocity verlet md-vv is avialable dt = 0.001 # time step in ps, so 0.001 is 1 femt..."
• 10:5110:51, 20 April 2019 diff hist +117 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
• 10:4910:49, 20 April 2019 diff hist +613 Talk:Mod:Hunt Research Group/Starting MD No edit summary
• 10:4510:45, 20 April 2019 diff hist +1 Talk:Mod:Hunt Research Group/Starting MD No edit summary
• 10:4510:45, 20 April 2019 diff hist +341 Talk:Mod:Hunt Research Group/Starting MD No edit summary
• 10:2810:28, 20 April 2019 diff hist +27 Mod:Hunt Research Group/ilff →use
• 10:2710:27, 20 April 2019 diff hist +143 Mod:Hunt Research Group/ilff →use
• 10:2010:20, 20 April 2019 diff hist −15 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
• 08:5208:52, 20 April 2019 diff hist −1 Mod:Hunt Research Group/packmol 1 →where to put your molecules
• 08:4608:46, 20 April 2019 diff hist −19 Mod:Hunt Research Group/packmol 1 →comment on the number of molecules or volume of cell
• 08:4508:45, 20 April 2019 diff hist +118 Mod:Hunt Research Group/packmol 1 No edit summary
• 08:4408:44, 20 April 2019 diff hist +447 Mod:Hunt Research Group/packmol 1 →where to put your molecules
• 08:3708:37, 20 April 2019 diff hist +21 Mod:Hunt Research Group/packmol 1 No edit summary
• 08:3508:35, 20 April 2019 diff hist −128 Mod:Hunt Research Group/packmol 1 No edit summary
• 08:2408:24, 20 April 2019 diff hist +20 Mod:Hunt Research Group/packmol 1 →install
• 08:2108:21, 20 April 2019 diff hist −2 Mod:Hunt Research Group/packmol 1 No edit summary
• 08:2008:20, 20 April 2019 diff hist +466 Mod:Hunt Research Group/packmol 1 No edit summary
• 08:1808:18, 20 April 2019 diff hist +215 Mod:Hunt Research Group/packmol 1 →install
• 08:0108:01, 20 April 2019 diff hist +204 Mod:Hunt Research Group/packmol 1 →install
• 07:3707:37, 20 April 2019 diff hist +104 Mod:Hunt Research Group/packmol 1 No edit summary
• 07:3507:35, 20 April 2019 diff hist −164 Mod:Hunt Research Group/packmol 1 No edit summary
• 07:2707:27, 20 April 2019 diff hist +3,524 N Mod:Hunt Research Group/packmol 1 Created page with "==Intro== You have two choices depending on if this is a pure system or is a solute plus solvent. You can start from a) molecules on a grid (not discussed here) b) a random..."
• 07:2707:27, 20 April 2019 diff hist −3,524 Talk:Mod:Hunt Research Group/Starting MD No edit summary
• 07:2507:25, 20 April 2019 diff hist +487 N Mod:Hunt Research Group/gromacs 1 Created page with "=Gromacs= *website is [http://www.gromacs.org http://www.gromacs.org] ==Install== *use sudo MacPorts <pre> sudo port search --name --line --glob '*cmake*' sudo port install..." current
• 07:2507:25, 20 April 2019 diff hist +87 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
• 07:2107:21, 20 April 2019 diff hist +51 Mod:Hunt Research Group/ilff →use
• 07:2007:20, 20 April 2019 diff hist +280 Mod:Hunt Research Group/ilff →use
• 07:1907:19, 20 April 2019 diff hist −14 Mod:Hunt Research Group/ilff →use
• 07:1407:14, 20 April 2019 diff hist +7 Mod:Hunt Research Group/ilff →install
• 07:1207:12, 20 April 2019 diff hist +282 Mod:Hunt Research Group/ilff →use
• 06:5006:50, 20 April 2019 diff hist +501 Mod:Hunt Research Group/ilff →use
• 05:4005:40, 20 April 2019 diff hist +152 Mod:Hunt Research Group/ilff →ILFF
• 05:3405:34, 20 April 2019 diff hist +78 Mod:Hunt Research Group/ilff →ILFF
• 05:3105:31, 20 April 2019 diff hist +435 N Mod:Hunt Research Group/ilff Created page with "=ILFF= *the Agilio Padua git hub ilff [https://github.com/agiliopadua/ilff link] *read the README.md file *fftool is a python script by Agilio that builds a simulation box and..."
• 05:2505:25, 20 April 2019 diff hist +39 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
• 05:2205:22, 20 April 2019 diff hist −38 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
• 05:1905:19, 20 April 2019 diff hist +88 Mod:Hunt Research Group →Setup and Running Classical MD Simulations