4/4/2024 0 Comments Amazon plugin mobiriseThe QwikMD main developers are:įor those who are experts in both Molecular Dynamics and Computational Biophysics, using QwikMD should be intuitive. QwikMD is in constant development by a team of investigators in Professor Klaus Schulten group at University of Illinois. You can check our upcoming workshops where your can learn more about Computational Biophysics here. QwikMD is an important part of our training workshops. If you find any problems using QwikMD please contact us by using our BUG REPORT form, or by e-mailing one of QwikMD's main developers: or feedback is appreciated. Even though the software was exhaustively tested, QwikMD might still have some bugs so use caution. The first version of QwikMD is available in VMD 1.9.3.Īttention, this is the first public release of QwikMD. Pre-installed at supercomputer centers, and now jointly with VMD as NAMD is available free-of-charge as source code, precompiled binaries, More on new features in the 2.12 release of NAMD can be found With both the semi-empirical code MOPAC and the ab initio/DFT code ORCA. With the ability to modify and reload the molecular structure,Įnabling development of grand canonical and constant pH ensemble methods,Īs well as an optional Python interface for advanced on-the-fly analysis.įinally, NAMD 2.12 provides a complete, no-recompilation-needed NAMD 2.12 builds on the asynchronous multi-copy scripting capabilities introduced in NAMD 2.12 is also optimized for the new Intel Xeon Phi KNL processors found in Single-node simulations of smaller systems. NVIDIA GPU-accelerated simulations with NAMD 2.12 are up to three times asįast as 2.11, particularly for implicit solvent simulations and Provides major enhancements in performance, flexibility, and accuracy,Ĭomplementing the greatly enhanced usability provided by the
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