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Calculating order parameters - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Calculating_order_parametersGenerate the PSF for TZ2 READ SEQUence CARD 12 SER TRP THR TRP GLU GLY ASN LYS TRP THR TRP LYS GENErate FIRS NTER LAST CT2 SETUp OPEN UNIT 20 NAME ... test.crd READ CARD READ COOR UNIT 20 CARD FREE CLOSE UNIT 20! -
SVN Page - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/SVN_Page6 Jan 2021: The range {2007-01-18}:{2007-01-20} thus includes all commits on the 18th and 19th, but none on the 20th. ... This function (in /.bashrc) gives the last 20 log messages and is much faster:. -
Using GMIN to generate endpoints (CHARMM) - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Using_GMIN_to_generate_endpoints_(CHARMM)Read the initial coordinates from input.crd OPEN UNIT 20 NAME input.crd READ CARD READ COOR UNIT 20 CARD FREE CLOSE UNIT 20! -
CamCASP/Programming/0 - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/CamCASP/Programming/06 Jan 2021: Navigation. Tools. This page was last edited on 8 December 2011, at 16:20. -
Using GMIN and OPTIM with GPUs - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Using_GMIN_and_OPTIM_with_GPUsUsing CUDAGMIN. Here is an example data file for CUDAGMIN. CUDA L SAVE 20 EDIFF 0.0001 MAXIT 1000 2000 STEPS 1000 1.0 TEMPERATURE 1.0 MAXBFGS 0.6 STEP -
Running a Go model with the AMHGMIN - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/Running_a_Go_model_with_the_AMHGMIN6 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 -
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_AMHGMIN1uama 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 -
CamCASP/Bugs/8 - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php/CamCASP/Bugs/86 Jan 2021: energy = -43327521.561670 CM-1 Nuclear --Nuclear energy = 43203892.974930 CM-1 E1 = 845.035154 CM-1 E2a= -1119.653037 CM-1 E2b= -1166.014566 CM-1 E3a= -20.753604 -
Constructing Free Energy Disconnectivity Graphs - Docswiki
https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Constructing_Free_Energy_Disconnectivity_GraphsChoosing a very small value (e.g -20.0) will effectively result in each local minimum being in a free energy group of its own. -
Enviroment modules - CUC3
https://wikis.ch.cam.ac.uk/cuc3/wiki/index.php?title=Enviroment_modules&redirect=noNavigation. Tools. This page was last edited on 5 July 2008, at 20:03.
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