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Upgrading destiny - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Upgrading_destiny6 Jan 2021: Upgrading destiny. From CUC3. Destiny is to be upgraded to SuSE and at the same time have a new disk installed to give a bigger /scratch and /usr/local. -
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: to save the ligand you are editing as a new PDB using File>Save and changing the type to. ... R<CILE 385> Created a new atom named: O2 within residue:. R<CILE 385> Added missing heavy atom:. -
Relaxing existing transition states with new potential and creating…
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Relaxing_existing_transition_states_with_new_potential_and_creating_new_database6 Jan 2021: 6. next step: creation new binary file points.ts; you will need new pathdata file:. ... Still it is worthy to check where in fact both endpoints are placed in new database. -
Other IT stuff - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Other_IT_stuff6 Jan 2021: Other IT stuff. From CUC3. Made this page so I can provide links to older IT pages and not clutter up the 'headlines' on the front page. Retrieved from "". Navigation menu. Personal tools. Namespaces. Variants. Views. More. Search. Navigation. -
Perm-prmtop.py - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Perm-prmtop.py6 Jan 2021: For the new topology file, the energy is invariant to permutation of the aforementioned atoms or groups :). ... How do I use it? /perm-prmtop.py name-of-topology-file name-of-new-topology-file. Where can I find it? -
Visitor policy - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Visitor_policy6 Jan 2021: This information is used to set up UCS computer accounts in advance and is needed for any new member of staff. -
Maui compilation - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Maui_compilation6 Jan 2021: Maui compilation. From CUC3. It's 7/6/06 at time of writing. On new mek-quake torque-2.1 does not work with current Maui because they have chnaged the -
Computer Office services - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Computer_Office_services6 Jan 2021: Computer Office services. From CUC3. This has moved to the COs' wiki. COs only! And even more recently, this has gone public on (Raven password needed, but if you got here then you already have one). Retrieved from "". Navigation menu. Personal tools -
General queueing problems - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/General_queueing_problems6 Jan 2021: General queueing problems. From CUC3. This page is for general queueing discussion. There are specific pages for discussing mek-quake and tardis. I have moved the paragraph from the page for me-quake as it is more appropriate here. --Catherine 09:55, -
GPU processing - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/GPU_processing6 Jan 2021: I need a new version of the image without those SuSE libs to use on these machines. ... The auto-patching script doesn't do kernels on 10.2 so it will always need a computer officer's intervention to do a new kernel anyway.
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