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Setting up (CHARMM) - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Setting_up_(CHARMM)You can download the PDB we're using as the starting point for this tutorial here. ... Navigation. Tools. This page was last edited on 8 February 2012, at 15:52. -
Wales Group - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Wales_GroupIt is highly recommended that you read this once you have set up your details. ... Navigation. Tools. This page was last edited on 3 June 2019, at 10:26. -
SVN setup - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/SVN_setupYou're now good to download the group code :). 'Checking out' the code. ... This version of the code is what we are all working on together. -
Generating parameters using RESP charges from GAMESS-US - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Generating_parameters_using_RESP_charges_from_GAMESS-USYou can download a tar file containing all the input and expected output for this tutorial here. ... 1. make build_structure directory:. mkdir build_structure. This directory should contain your. -
Preparing an AMBER topology file for a protein plus ligand system -…
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Preparing_an_AMBER_topology_file_for_a_protein_plus_ligand_systemThis is best done using a script or a series of piped commands. ... 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
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