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41 - 45 of 45 search results for TALK:Vb20 24 / |u:wikis.ch.cam.ac.uk where 0 match all words and 45 match some words.

  1. Results that match 1 of 2 words

  2. Generating parameters using AMBER's built in General Forcefield…

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Generating_parameters_using_AMBER%27s_built_in_General_Forcefield_(gaff)
    Navigation. Tools. This page was last edited on 13 May 2019, at 10:24.

  3. Generating pdb, crd and psf for a peptide sequence - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Generating_pdb,_crd_and_psf_for_a_peptide_sequence
    NATOM 1 ALAD 1 ALA CAY 24 -0.270000 12.0110 0 0.00000 -0.301140E-02 2 ALAD 1 ALA HY1 3 0.900000E-01 1.00800 0 0.00000 ... 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 11 ALAD 1 ALA CB 24 -0.270000 12.0110 0 0.00000 -0.301140E-02 12 ALAD 1 ALA

  4. Calculating rate constants (GT and fastest path) - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Calculating_rate_constants_(GT_and_fastest_path)
    2100556 Dijkstra> MFPT for fastest path: A<-B value= 0.7030943368E25 B<-A value= 0.2425804971E-08 Dijkstra> rates without conditional probability: A<-B value= 0.1422284248E-24 B<-A value= ... 412234294.2 Dijkstra> rates with conditional probability: A<-B

  5. 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)
    144.0096582 5.4996 -149.5092547 24.935 17.263 1.969 24.372 18 -149.5092547 0.11279E-01 -149.4979756 3.8322 -153.3301944 6.223 5.891

  6. 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_method
    PAC A 317 17.578 25.580 63.751 1.00 15.05 C ATOM 2564 C1' PAC A 317 17.351 24.336 62.935 1.00 22.49 C ... 00 15.05 H ATOM 0 H2' PAC A 317 19.077 24.466 61.823 1.00 24.42 H.

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