Search

Search Funnelback University

Search powered by Funnelback
10 results 20 results 50 results
Relevance Date (Newest first) Date (Oldest first) Title (A-Z) Title (Z-A) Distance URL (A-Z) URL (Z-A) Shuffle
1 - 45 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. 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 ======================

  3. Setting up - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Setting_up
    2.342 -3.160 ATOM 23 CE1 PHE 2 11.834 2.503 -2.025 ATOM 24 HE1 PHE 2 12.406 1.886 -2.704 ATOM 25 CZ PHE 2 ... 23 CE1 PHE 2 9.287 0.851 -0.692 ATOM 24 HE1 PHE 2 9.205 -0.191 -0.412 ATOM 25 CZ PHE 2 9.580 1.203

  4. Raspberry Pi in the Chemistry Library:About - Raspberry Pi in the…

    https://wikis.ch.cam.ac.uk/library-pi/wiki/index.php/Raspberry_Pi_in_the_Chemistry_Library:About
    6 Jan 2021: 01223 336329, 24 hours in advance, so we can ensure that someone is available to lend it to you.

  5. 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.

  6. Simulations using OPEP - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Simulations_using_OPEP
    4 2.137 5.757 -0.745 ATOM 24 OXT GLU 4 3.977 5.797 -1.795 END. ... ichain.dat contains all fragments of the system. 1 1 24. scale.dat contains the scaling information for the potential.

  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. Fixing thunderbird links - Docswiki

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

  9. 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

  10. Adding a model to GMIN - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Adding_a_model_to_GMIN
    finalio.f -- generates output. --mp466 00:24, 8 July 2008 (BST). Retrieved from "". Navigation menu. Personal tools. Namespaces. Variants. Views. More. Search.

  11. 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).

  12. CamCASP/ToDo/diskIO - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/CamCASP/ToDo/diskIO
    187396 17104.03 <--- lineq_lu_iter 25 3182.26 matvec_types 9482 3451.95 energy_scan 1 59787.24 df_int 40294 26046.73 make_oneeint 9480 2970.26 DIaux 7110

  13. 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.

  14. Adding a model for PATHSAMPLE - Docswiki

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

  15. Mek-quake Queueing system - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Mek-quake_Queueing_system
    6 Jan 2021: This can be reduced if we have problems. --Catherine 17:44, 24 August 2006 (BST).

  16. Decoding heat capacity curves - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Decoding_heat_capacity_curves
    Navigation. Tools. This page was last edited on 15 November 2022, at 14:24.

  17. DisconnectionDPS - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/DisconnectionDPS
    6 6 -1.8455167037 5823.9083945062 1 2 24 -12.6466356094 5826.9370977040 1 6 17.

  18. Electronic Structure Group Meetings - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Electronic_Structure_Group_Meetings
    6 Jan 2021: Navigation. Tools. This page was last edited on 24 February 2014, at 18:33.

  19. 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.

  20. Global optimization of biomolecules using CHARMM - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Global_optimization_of_biomolecules_using_CHARMM
    0.00000 23 3 GLY H 3.90715 0.75613 0.00000 1 3 0.00000 24 3 GLY CA 3.92458 2.87358 0.00000 1 3 0.00000 25 ... 12 12 13 13 14 17 19 19 20 20 22 20 21 17 18 22 24 24 25 25 27 25 26 22 23 27 29 29 37 37 39

  21. Using GMIN to generate endpoints - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Using_GMIN_to_generate_endpoints
    Navigation. Tools. This page was last edited on 24 May 2011, at 16:19.

  22. Conversion between different data file formats - CUC3

    https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Conversion_between_different_data_file_formats
    6 Jan 2021: Navigation. Tools. This page was last edited on 7 October 2008, at 17:24.

  23. Mek-quake Queueing system - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Mek-quake_Queueing_system
    This can be reduced if we have problems. --Catherine 17:44, 24 August 2006 (BST).

  24. 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

  25. Intel Trace Analyzer and Collector - Docswiki

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

  26. 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

  27. GMIN MOVES module - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/GMIN_MOVES_module
    Csw34 17:24, 14 April 2014 (UTC). Retrieved from "". Navigation menu.

  28. 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.

  29. Computing CHARMM FF energy using GMIN, MMTSB and CHARMM - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Computing_CHARMM_FF_energy_using_GMIN,_MMTSB_and_CHARMM
    0.0000000000 24 2 ALA HB3 4.4074251611 4.5080096993 1.2139617347 DIALA 2 0.0000000000 25 2 ALA C 5.7914561039 2.3986507715 0.0000000000 DIALA 2 0.0000000000 26 ... NGRP NST2 0 1 0 4 1 0 6 1 0 10 1 0 14 1 0 16 1 0 20 1 0 24 1 0 26 1 0 1!

  30. 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

  31. https://wikis.ch.cam.ac.uk/ro-walesdocs/images/c/c7/OTV.prepin.txt

    https://wikis.ch.cam.ac.uk/ro-walesdocs/images/c/c7/OTV.prepin.txt
    3 Mar 2016: 1.608 117.636 42.409 -0.13223 23 C1 c B 22 19 14 1.445 121.657 165.337 0.90383 24 O1A o E 23 22 19

  32. 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.

  33. 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.

  34. 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

  35. 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

  36. 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 >

  37. 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.

  38. 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.

  39. 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

  40. 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

  41. 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.

  42. Adding partially finished OPTIM stationary points to a PATHSAMPLE…

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Adding_partially_finished_OPTIM_stationary_points_to_a_PATHSAMPLE_database
    Navigation. Tools. This page was last edited on 10 May 2019, at 18:24.

  43. 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.

  44. 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

  45. 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.

  46. 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

Refine your results

Date

Search history

Recently clicked results

Recently clicked results

Your click history is empty.

Recent searches

Recent searches

Your search history is empty.