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1 - 10 of 17 search results for katalk:za33 24 |u:wikis.ch.cam.ac.uk where 0 match all words and 17 match some words.

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  2. 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).

  3. 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.

  4. 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

  5. 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

  6. 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

  7. 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.

  8. CamCASP/Numerical - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/CamCASP/Numerical
    6 Jan 2021: fun! DC -24.50340 9.09293 -0.02501 0.01275 -18.94748 0.05356 ===============================================================================. I can't believe the aQZ/MC result. ... 7426 -3.8415 -6.3363 24.1369 0.6432 0.5905 -19.5499 ======================

  9. CamCASP/Programming/7 - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/CamCASP/Programming/7
    6 Jan 2021: Energies in kJ/mol elst ind2C disp2C exch exind2C exdisp2C becke100.out -28.499 -10.832 -9.971 24.756 5.624 1.670 becke10.out -28.499 -10.829 ... 964 24.756 5.622 1.669 becke3.out -28.499 -10.829 -9.962 24.756 5.622 1.668.

  10. 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

  11. Compiling GMIN with CHARMM - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Compiling_GMIN_with_CHARMM
    6 Jan 2021: Navigation. Tools. This page was last edited on 14 July 2008, at 11:24.

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