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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. ... Various other files are installed to the sub-directories of $HOME/local, including manpages. -
Finding an initial path with OPTIM and starting up PATHSAMPLE…
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Finding_an_initial_path_with_OPTIM_and_starting_up_PATHSAMPLE_(CHARMM)You will notice that a lot of new files have been created in the directory. ... If you are having problems, you can download a compressed archive of all the files in the PATHSAMPLE directory here, and compare what you have with them! -
Calculating binding free energy using the FSA method - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Calculating_binding_free_energy_using_the_FSA_methodYou can find the files used in this tutorial in the tarballs here:. ... pdb file, but NOT in the. prepin/.mol2/.off files. This is because unlike.
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