Release Name: Zephyr 2.0
Change Log
Changes: Version 2.0.2 July 8, 2010 * Latest (release?) version of OpenMM 2.0 libraries * Position restraint step removed because it often fails Version 2.0.0 June 23, 2010 * Cancel button works better on Mac and Linux * Based on OpenMM 2.0 * OpenCL support on all platforms * Many changes related to supporting explicit solvent simulations. * genion executable added * mdrun_openmm now supports thermostat, barostat, position restraint. * Added amber ff99sb and ff03 force fields Version 1.1.2 Feb 12, 2010 * Avoid uninitialized mdrunWorkingDirectory problem on machines running Zephyr for the first time. Version 1.1.1 Feb 12, 2010 * Use mac binaries from snow build machine, to match OpenMM 1.1 files Version 1.1.0 beta: Feb 11, 2010 * Uses nightly build binaries from Feb 11 (might be OpenMM 1.1 release) * Added tooltips to help with new continuation functionality Version 1.0 beta2 * Continuation uses trajectory (trr) files * No longer supports PPC Mac, nor Mac OS 10.4 (Tiger) * OpenMM no longer supports ATI GPUs Version 1.0 beta * Uses OpenMM 1.0 beta release. * Initial coordinates now written to first frame of trajectory file. * Continuation of previous run from molecules panel added. Version 0.9.4: Sep 30, 2009 * Advanced parameters dialog containing all OpenMM-relevant mdp file parameters * Checkpoint files are created at the end of each run. * Option to restart using a checkpoint file. * Permit choosing a non-existent simulations directory * Fixed bug where simulation would fail if default simulations directory does not exist. * "Cancel" button creates checkpoint file on Linux (but not on Windows) * A new simulation subdirectory is created for each new input pdb file. * Zephyr remembers where VMD and your top-level simulation directory were. Version 0.9.2: Sep 25, 2009 * Changes to dialogs and "About" panel. Version 0.9.1: * Changed WIndows VS8 redistributable installer to a better one. * Don't remove HETATMs from pdb files, but do remove waters. Version 0.9.0: Aug 31, 2009 * New binaries based on OpenMM Preview Release 4 * Automatic conversion of PDB files to ffamber format * First 64-bit Linux support Version 0.8.3: June 8, 2009 * User manual updated * PDB files in testData directory rearranged Version 0.8.2: May 21, 2009 * Patch to use correct GBSA scale factors for phosphorus atoms * Experimental Linux installer created Version 0.8.1: May 18, 2009 * Using binaries built using OpenMM Preview Release 3 Version 0.7.4: May 11, 2009 * Heartbeat-per-second timing messages no longer sent to log file nor console. * "faster folding" option reworded to "faster dynamics" * g_energy and tpbconv executables added to bin directory * Possible fix for rare dialog 'Error: could not read "md.log": no such file or directory' (Though the dialog did not appear to interfere with the simulation.) * "doc" directory no longer installed inside of Mac app bundle Version 0.7.3: * Even more villin structure files added to testData directory * Final structure file at end of dynamics run is now in .gro format, instead of broken .pdb format (issue 798) * Reporting of elapsed an remaining time is more consistent (issue 796) * Frequency of writing trajectory frames automatically changes to equal the minimum of VMD output frequency and total run time (issue 797) Version 0.7.2: * nvidia GPU accelerated platform works on Mac (issue 787) Version 0.7.0: Apr 20, 2009 * Selecting VMD application bundle on Mac now works * zephyr.log file is created for later perusal * resizing Zephyr window keeps more critical information at smaller sizes * Mac Zephyr runs on intel and powerpc CPUs * Mac Zephyr works when client does not have X11 installed * Mac Zephyr works with OS X 10.4 * Gromacs and VMD input commands are now blue instead of red (less scary) * Degree symbol repaired on parameters panel * Version number moved to "About" panel * No Tcl/Tk installation is required * Default simulations directory is in the user's home directory Version 0.6.7/8: Apr 16, 2009 Version 0.6.4: Apr 7, 2009 * Does not require previous Tcl/Tk installation on client computer. * First release with Mac OS X version. Version 0.5.0: Feb 9, 2009 * ATI simulation works with alanylalanine * Collision interval variable exposed * GPU paper reference added to "About" dialog Version 0.4.2: Feb 4, 2009 Version 0.3.1: Jan 30, 2009 * Uses NSIS installer. * Molecules page modified after user testing. * Cancel button actually kills Windows processes now. Version 0.2: Jan 29, 2009 Version 0.1: Jan 16, 2009