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Visualising normal modes using VMD and OPTIM - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Visualising_normal_modes_using_VMD_and_OPTIM6 Jan 2021: You require one of these files for each mode, and they are produced for you by a simple Fortran program, visnormodes.f90 that you can download here. -
Useful Makefiles - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Useful_Makefiles6 Jan 2021: Download mpiblacs.tgz and mpiblacs-patch03.tgz and extract. Extract the patch second, to apply it. ... Typing the following will create a cp2k directory and download the source code (if asked for a password just press enter):. -
SVN setup - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/SVN_setup6 Jan 2021: Finally, before you download the code, you need to set up the log file template. ... PROGRAM ------- SUMMARY OF CHANGES ------------------ SUBROUTINES AFFECTED -------------------- KEYWORDS AFFECTED ----------------- KNOWN ISSUES ------------. Save the -
SVN Page - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/SVN_Page6 Jan 2021: csw34 11:47, 23 September 2008 (BST). Help. svn help <command> is very useful, as is the O'Reilly book, which available free online (and for download) here:12:34, 31 ... A python script and a required xslt stylesheet (download from svnlogfeed.tar ) makes -
Preparing an AMBER topology file for a protein plus ligand system -…
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Preparing_an_AMBER_topology_file_for_a_protein_plus_ligand_system6 Jan 2021: Molfacture, a tool in VMD. You will need the latest version of VMD to do this so either download and compile it yourself (which is pretty easy - honest!), or use my -
Other useful scripts - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Other_useful_scripts6 Jan 2021: See the documentation for more information. Available for download from [1]. ... Goodbye. Available for download from [2]. -
Other useful scripts - CUC3
wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Other_useful_scripts6 Jan 2021: See the documentation for more information. Available for download from [1]. ... Goodbye. Available for download from [2]. -
Lapack compilation - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Lapack_compilation6 Jan 2021: I installed it in /src/lib/lapack-3.1.1:. jss43@keiko:/src/lib> wget -O - http://www.netlib.org/lapack/lapack.tgz | tar xvzf - # Download and extract to -
Installing python modules - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Installing_python_modules6 Jan 2021: The Python Cheeseshop has a great many useful packages. Make sure you download the tarball rather than the egg, as we will not be using the easy_install mechanism (which ... You can download it using bzr (which will be on the 10.3 image) or the tarballs -
Fortran issues - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Fortran_issues6 Jan 2021: I did:. jss43@keiko:/src/> wget -O - http://www.physik.fu-berlin.de/tburnus/gcc-trunk/gcc-4.2-x86_64.tar.gz | tar xvzf -. This downloads the gcc-4.2
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