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Last change
on this file was 4e219a3, checked in by baerbaer <baerbaer@…>, 16 years ago |
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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
100644
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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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