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11 - 14 of 14 search results for KaKaoTalk:vb20 200 |u:wikis.ch.cam.ac.uk where 0 match all words and 14 match some words.

  1. Results that match 1 of 2 words

  2. Global optimization of biomolecules using CHARMM - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Global_optimization_of_biomolecules_using_CHARMM
    7 CHMD 5 STEPS 200 1.0 STEP 0.7 0.0 SAVE 10 CHARMMTYPE toph19_eef1_perm.inp param19_eef1_perm.inp CHARMM! ... NUMLP NUMLPH 0! NCRTERM: cross-terms. 3. chmd.par. VERLET TIMESTEP 0.002 NSTEP 500 NPRINT 100 IPRFRQ 100 FIRSTT 500 FINALT 500 TWINDH 10.0

  3. Compiling Wales Group codes using cmake - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Compiling_Wales_Group_codes_using_cmake
    FORCE) set (FORTRAN_FREEFORM_FLAG "-Mfree" CACHE TYPE STRING) elseif(COMPILER_SWITCH MATCHES "gfortran") set (CMAKE_Fortran_FLAGS "-ffixed-line-length-200 -ffree-line-length-0" CACHE TYPE STRING FORCE) set

  4. Pathway Gap Filling Post-CHECKSPMUTATE - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/Pathway_Gap_Filling_Post-CHECKSPMUTATE
    BFGSTS 200 20 100 0.01 50 ENDHESS NOHESS BFGSSTEPS 10000 BFGSMIN 1D-3 MAXBFGS 1.0 AMBER12 extractedts.

  5. GMIN - Docswiki

    https://wikis.ch.cam.ac.uk/ro-walesdocs/wiki/index.php/GMIN
    A typical example is:. VERL NSTEP 500 TIMESTEP 0.002 TWINDH 10.0 IEQFRQ 200 ICHECW 1 IASORS 0 IASVEL 1 FIRS 500 FINA 500.

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