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1 - 10 of 17 search results for katalk:PC53 24 / |u:wikis.ch.cam.ac.uk where 0 match all words and 17 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. CamCASP/Interfaces - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/CamCASP/Interfaces
    6 Jan 2021: ICUT=24 $END $SYSTEM MEMORY=220000 $END $GUESS GUESS=HCORE $END $DATA Ar in ArHF 86 functions, acpVDZ basis: monomer A, DCBS C1 Ar 18.0 0.0 0.0

  4. REMD with AMBER - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/REMD_with_AMBER
    6 Jan 2021: Navigation. Tools. This page was last edited on 24 October 2008, at 13:48.

  5. Adding a model for PATHSAMPLE - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Adding_a_model_for_PATHSAMPLE
    6 Jan 2021: connectodata.f -- print out new output structures start.<n>, finish.<n>,. --mp466 00:24, 8 July 2008 (BST).

  6. 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

  7. CamCASP/ToDo/diskIO - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/CamCASP/ToDo/diskIO
    6 Jan 2021: 31 lineq_solver_lu 23 3422.38 matrix_read 187396 17104.03 <--- lineq_lu_iter 25 3182.26 matvec_types 9482 3451.95 energy_scan 1 59787.24 df_int 40294

  8. Running a Go model with the AMHGMIN - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Running_a_Go_model_with_the_AMHGMIN
    6 Jan 2021: 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

  9. CamCASP/Notes/3 - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/CamCASP/Notes/3
    6 Jan 2021: Step 0.75 B! Grid exp Colour-map 0 210 0.25 1 6 240 0.75 1 12 300 1.0 0 18 360 0.75 1 24 390

  10. Adding a model to GMIN - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Adding_a_model_to_GMIN
    6 Jan 2021: finalio.f -- generates output. --mp466 00:24, 8 July 2008 (BST). Retrieved from "". Navigation menu. Personal tools. ... Navigation. Tools. This page was last edited on 8 July 2008, at 00:24.

  11. CamCASP/Notes/8 - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/CamCASP/Notes/8
    6 Jan 2021: Navigation. Tools. This page was last edited on 31 May 2010, at 19:24.

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