Last change
on this file was 4e219a3, checked in by baerbaer <baerbaer@…>, 16 years ago |
Update Lund init and BG/P compatibility.
- Moved call of init_lundff after initialization of the molecule. The Lund
force field needs the molecule to calculate the hydrophobicity matrix.
- Added bgp target to Makefile to compile SMMP on a BlueGene/P
- Split if statement in setmvs to avoid out-of-range warning for array
access.
- Changed setup of boundaries in Protein.zimmer() to match new version of
numpy.
git-svn-id: svn+ssh://svn.berlios.de/svnroot/repos/smmp/trunk@15 26dc1dd8-5c4e-0410-9ffe-d298b4865968
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Property mode
set to
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File size:
1.1 KB
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1 | # KDevelop Custom Project File List
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2 | EXAMPLES
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3 | EXAMPLES/Makefile
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4 | EXAMPLES/Python
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5 | EXAMPLES/Python/annealing.py
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6 | EXAMPLES/Python/gui_example.py
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7 | EXAMPLES/Python/minimization.py
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8 | EXAMPLES/Python/muca.py
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9 | EXAMPLES/Python/regularization.py
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10 | EXAMPLES/annealing.f
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11 | EXAMPLES/minimization.f
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12 | EXAMPLES/multicanonical.f
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13 | EXAMPLES/parallel_tempering_p.f
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14 | EXAMPLES/parallel_tempering_s.f
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15 | EXAMPLES/partem_p.f
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16 | EXAMPLES/regularization.f
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17 | INCL.H
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18 | INCP.H
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19 | Makefile
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20 | addend.f
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21 | algorithms.py
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22 | anneal.f
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23 | bgs.f
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24 | bldmol.f
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25 | callbacktest.f
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26 | canon.f
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27 | cnteny.f
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28 | contacts.f
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29 | difang.f
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30 | dihedr.f
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31 | doc
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32 | doc/Makefile
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33 | energy.f
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34 | eninteract.f
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35 | enyflx.f
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36 | enylun.f
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37 | enyreg.f
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38 | enyshe.f
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39 | enyshe_p.f
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40 | enysol.f
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41 | enysol_p.f
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42 | esolan.f
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43 | eyabgn.f
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44 | getmol.f
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45 | gradient.f
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46 | hbond.f
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47 | helix.f
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48 | incl_lund.h
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49 | init_energy.f
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50 | init_molecule.f
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51 | main.f
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52 | main.py
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53 | main_bgl_p.f
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54 | main_p.f
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55 | metropolis.f
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56 | mincjg.f
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57 | minim.f
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58 | minqsn.f
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59 | mklist.f
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60 | mulcan_par.f
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61 | mulcan_par_mod.f90
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62 | mulcan_sim.f
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63 | nursvr.f
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64 | opeflx.f
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65 | opereg.f
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66 | opeshe.f
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67 | opesol.f
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68 | outpdb.f
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69 | outvar.f
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70 | partem_p.f
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71 | partem_s.f
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72 | pdbread.f
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73 | protein.py
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74 | redseq.f
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75 | redstr.f
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76 | redvar.f
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77 | regul.f
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78 | restoreexclpoint.py
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79 | rgyr.f
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80 | rmexclpoint.py
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81 | rmsdfun.f
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82 | setmvs.f
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83 | setvar.f
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84 | twister.f
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85 | universe.py
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86 | utilities.f
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87 | zimmer.f
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