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31 - 40 of 45 search results for KaKaoTalk:ZA31 24 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. Removing minima and transition states from the database - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Removing_minima_and_transition_states_from_the_database
    6 Jan 2021: mp466 02:05, 24 October 2008 (BST). Retrieved from "". Navigation menu.

  3. STARTING INITIAL PATH JOBS WITH PATHSAMPLE - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/STARTING_INITIAL_PATH_JOBS_WITH_PATHSAMPLE
    pathdata:. GCORES '-c8'. SYSTEM X. EXEC /svn/OPTIM/builds/ifort_64_2019_5_281/OPTIM. NATOMS 24. SEED 1.

  4. Running a Go model with the AMHGMIN - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Running_a_Go_model_with_the_AMHGMIN
    1uama 1uama 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29

  5. Calculating rate constants (GT and fastest path) - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Calculating_rate_constants_(GT_and_fastest_path)
    6 Jan 2021: 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

  6. Submitting jobs, interactively or to a cluster queue system - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Submitting_jobs,_interactively_or_to_a_cluster_queue_system
    the shortest walltime is 24 hours on Volkhan). The third line tells PBS to execute commands from the current working directory from which you submitted the job. ... SBATCH -n 24 # # then # srun -N1 -n1 /sharedscratch/wales/PATHSAMPLE.pgi/PATHSAMPLE >

  7. Using AMBER 14 on the GPU and compute clusters - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Using_AMBER_14_on_the_GPU_and_compute_clusters
    Navigation. Tools. This page was last edited on 13 May 2019, at 10:24.

  8. Removing minima and transition states from the database - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Removing_minima_and_transition_states_from_the_database
    mp466 02:05, 24 October 2008 (BST). Retrieved from "". Navigation menu.

  9. 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

  10. Notes on MINPERMDIST - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Notes_on_MINPERMDIST
    Notes on MINPERMDIST. From Docswiki. The subroutine that must not be named. Bringing of headaches. Bane of Friday afternoons. Mother of alignment algorithms. This page aims to collect useful information on how MINPERMDIST works to assist in the

  11. Connecting Sub-databases - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Connecting_Sub-databases
    00003_00303 670 811 connectlowest> Distance: 24.67395896. Error creating thumbnail: Unable to save thumbnail to destination.

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