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| 1 | #!/usr/bin/env python
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| 2 | # muca.py
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| 3 | #
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| 4 | # Copyright 2007 Frank Eisenmenger, U.H.E. Hansmann,
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| 5 | # Jan H. Meinke, Sandipan Mohanty
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| 6 | #
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| 7 | import sys
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| 8 |
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| 9 | sys.path.append('../..')
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| 10 |
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| 11 | import smmp, universe, protein
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| 12 |
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| 13 | smmp.epar_l.flex = 0
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| 14 | smmp.epar_l.sh2 = 0
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| 15 | smmp.epar_l.epsd = 0
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| 16 | smmp.epar_l.ientyp = 0
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| 17 | smmp.isolty.itysol = 0
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| 18 | smmp.init_energy('./SMMP/')
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| 19 | smmp.mol_i.ntlml=0
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| 20 |
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| 21 | smmp.sgrnd(31433)
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| 22 | smmp.updchois.upchswitch = 0
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| 23 | smmp.updchois.rndord = 0
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| 24 | smmp.updchois.bgsprob = 0.3
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| 25 | smmp.init_lund()
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| 26 |
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| 27 | p = protein.Protein('../enkefa.seq', '../enkefa.var')
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| 28 |
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| 29 | smmp.multicanonical.mulcan_par(100000, 500, 1000, -12, 20, 1.0, 0)
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| 30 | #smmp.multicanonical.mulcan_sim(100, 100000, 10, 1000, -12, 20, 1.0, 0)
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| 31 |
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