The Nobel Prize in Chemistry 2012 was awarded jointly to Robert J. Lefkowitz and Brian K. Kobilka "for studies of G-protein-coupled receptors (GPCR) http://www.nobelprize.org/nobel_prizes/chemistry/laureates/2012/ Robert J. Lefkowitz Born: 194 ...
The recent CECAM workshop "High Performance Computing in Computational Chemistry and Molecular Biology: Challenges and Solutions Provided by ScalalLife Project" seems to be like Gromacs developer and users reunion meeting since it mainly focus on Gromacs and related topic. Lots of Gromacs guy ...
I've just got a new MacBookPro from the lab recently and it is really so not stupid of macOS for computational work that I cannot appreciated that there are someone still stick on it for molecular modeling: there is no Discoverystudio under macOS; it doesn't support middle click paste in most cases ...
As the most important membrane protein, GPCR MD simulation is a quite hot topic nowadays. However, how to assemble protein/membrane system and which forcefield to assign for the whole system are two main critical and tough task for GPCR simulations. 1. Assemble protein/membrane system ...
Many Linux OS doesn't contain the Firefox up to date repository, even some only support 3.6.X version. On the other hand, firefox released new version every few weeks and the performance improved a lot especially the latest 15.0 because the memory leaks problem is fixed since this version. ...
http://soft.proindependent.com The Graph Menu This menu is only active (visible) when a graph window is selected. Graph - Add/Remove Curves... ( Alt-C ) Opens the Add/Remove Curves... dialog , allowing easy addition or removal of curves from the active pl ...
1. download source code: git clone git://git.gromacs.org/gromacs.git 2. install openMM and CUDA library into /soft/gromacs-gpu/openmm (download from https://simtk.org/project/xml/downloads.xml?group_id=506 ) /soft/gromacs-gpu/cuda configuring .cshrc as following etenv OPENMM_ROOT_DIR /soft/o ...
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