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31 - 37 of 37 search results for TALK:PC53 20 |u:wikis.ch.cam.ac.uk where 0 match all words and 37 match some words.

  1. Results that match 1 of 2 words

  2. CamCASP/Notes/7 - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/CamCASP/Notes/7
    6 Jan 2021: Navigation. Tools. This page was last edited on 17 March 2009, at 20:26.

  3. CamCASP/Programming/7 - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/CamCASP/Programming/7
    6 Jan 2021: Time: This calculation took 20 minutes (full properties) in CamCASP and 9 minutes in DALTON. ... 11h20m (Dalton direct, conv 10-7) PBE noAC ALDAX -6.563 -11.424 -25.981 20.223 9.529 2.092 -12.125 7.8% 11h45m 12h56m (Dalton direct, conv

  4. Visualising normal modes using VMD and OPTIM - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Visualising_normal_modes_using_VMD_and_OPTIM
    6 Jan 2021: csw34 20:27, 7 April 2009 (BST). Retrieved from "". Navigation menu. ... Navigation. Tools. This page was last edited on 7 April 2009, at 20:28.

  5. Finding an initial path between two end points (minima) - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Finding_an_initial_path_between_two_end_points_(minima)
    6 Jan 2021: 1000 MAXBFGS 0.8 BFGSMIN 1.0D-6 BFGSTS 500 20 200 0.01 100 NEWCONNECT 2 4 3.0 30.0 30 5.0 NEWNEB 5 600 0.1 DIJKSTRA

  6. Short 'sed' examples - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Short_%27sed%27_examples
    6 Jan 2021: add a blank line every 5 lines (after lines 5, 10, 15, 20, etc.) gsed '05G' # GNU sed only sed 'n;n;n;n;G;' # other seds.

  7. If you need to change the number of atoms (e.g. making a united-atom…

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/If_you_need_to_change_the_number_of_atoms_(e.g._making_a_united-atom_charmm19_.crd_file,_or_if_atoms_are_missing)
    6 Jan 2021: read the sequence from the PDB file READ SEQUence PDB UNIT 20 GENErate SETUP IC PURGE! ... read the coordinates from the PDB file READ COOR PDB UNIT 20 SELE ALL END CLOSE UNIT 20!

  8. 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_system
    6 Jan 2021: 614 29.813 13.829 1.00 0.00 ATOM 19 HZ1 LYS 2 48.594 30.403 12.569 1.00 0.00 ATOM 20 HZ2 LYS 2 47.324 ... R<CILE 385>.A<O 19> Added missing heavy atom:. R<CILE 385>.A<OXT 20> Added missing heavy atom:.

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