Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego
authorPawel Krupa <vetinari@piasek2.(none)>
Fri, 24 Aug 2012 09:11:06 +0000 (11:11 +0200)
committerPawel Krupa <vetinari@piasek2.(none)>
Fri, 24 Aug 2012 09:11:06 +0000 (11:11 +0200)
commit5a8c1962b1eafdefe5001ce9207372e68d31960a
tree18dcdc45f4d8f8d574f3b5bc10b6d20b46158add
parentee9b6d7c3bd62a81233e4589fa26a3641622262f
Dodanie przykladow do MD, REMD, MREMD i mikrokanonicznego
761 files changed:
examples/unres/new/1L2Y.pdb [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD.inp [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD.intin [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD.out_GB000 [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_000.rst [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_001.rst [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_002.rst [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_003.rst [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_004.rst [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_005.rst [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_006.rst [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_007.rst [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_GB000.int [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_GB000.mol2 [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_GB000.pdb [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_GB000.stat [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_GB001.stat [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_GB002.stat [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_GB003.stat [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_GB004.stat [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_GB005.stat [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_GB006.stat [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_GB007.stat [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_MD000.cx [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_MD001.cx [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_MD002.cx [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_MD003.cx [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_MD004.cx [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_MD005.cx [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_MD006.cx [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/1L2Y_MD_MD007.cx [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/fort.2 [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_1l2y/start.mat [new file with mode: 0755]
examples/unres/new/MD/Berendsen/ff_1l2y/unres.csh [new file with mode: 0755]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD.inp [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD.intin [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD.out_GB000 [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_000.rst [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_001.rst [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_002.rst [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_003.rst [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_004.rst [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_005.rst [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_006.rst [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_007.rst [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB000.int [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB000.mol2 [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB000.pdb [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB000.stat [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB001.stat [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB002.stat [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB003.stat [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB004.stat [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB005.stat [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB006.stat [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_GB007.stat [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD000.cx [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD001.cx [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD002.cx [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD003.cx [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD004.cx [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD005.cx [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD006.cx [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/1L2Y_MD_MD007.cx [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/fort.2 [new file with mode: 0644]
examples/unres/new/MD/Berendsen/ff_gab/start.mat [new file with mode: 0755]
examples/unres/new/MD/Berendsen/ff_gab/unres.csh [new file with mode: 0755]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD.inp [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD.intin [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD.out_GB000 [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_000.rst [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_001.rst [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_002.rst [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_003.rst [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_004.rst [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_005.rst [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_006.rst [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_007.rst [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_GB000.int [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_GB000.mol2 [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_GB000.pdb [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_GB000.stat [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_GB001.stat [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_GB002.stat [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_GB003.stat [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_GB004.stat [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_GB005.stat [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_GB006.stat [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_GB007.stat [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_MD000.cx [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_MD001.cx [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_MD002.cx [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_MD003.cx [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_MD004.cx [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_MD005.cx [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_MD006.cx [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/1L2Y_MD_MD007.cx [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/fort.2 [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_1l2y/start.mat [new file with mode: 0755]
examples/unres/new/MD/Langevin/ff_1l2y/unres.csh [new file with mode: 0755]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD.inp [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD.intin [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD.out_GB000 [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_000.rst [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_001.rst [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_002.rst [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_003.rst [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_004.rst [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_005.rst [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_006.rst [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_007.rst [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB000.int [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB000.mol2 [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB000.pdb [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB000.stat [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB001.stat [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB002.stat [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB003.stat [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB004.stat [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB005.stat [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB006.stat [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_GB007.stat [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD000.cx [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD001.cx [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD002.cx [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD003.cx [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD004.cx [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD005.cx [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD006.cx [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/1L2Y_MD_MD007.cx [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/fort.2 [new file with mode: 0644]
examples/unres/new/MD/Langevin/ff_gab/start.mat [new file with mode: 0755]
examples/unres/new/MD/Langevin/ff_gab/unres.csh [new file with mode: 0755]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD.inp [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD.intin [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD.out_GB000 [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_000.rst [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_001.rst [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_002.rst [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_003.rst [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_004.rst [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_005.rst [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_006.rst [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_007.rst [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_GB000.int [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_GB000.mol2 [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_GB000.pdb [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_GB000.stat [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_GB001.stat [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_GB002.stat [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_GB003.stat [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_GB004.stat [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_GB005.stat [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_GB006.stat [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_GB007.stat [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_MD000.cx [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_MD001.cx [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_MD002.cx [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_MD003.cx [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_MD004.cx [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_MD005.cx [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_MD006.cx [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/1L2Y_MD_MD007.cx [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/fort.2 [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/start.mat [new file with mode: 0755]
examples/unres/new/MD/Nose_Hoover/ff_1l2y/unres.csh [new file with mode: 0755]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD.inp [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD.intin [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD.out_GB000 [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_000.rst [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_001.rst [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_002.rst [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_003.rst [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_004.rst [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_005.rst [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_006.rst [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_007.rst [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB000.int [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB000.mol2 [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB000.pdb [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB000.stat [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB001.stat [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB002.stat [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB003.stat [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB004.stat [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB005.stat [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB006.stat [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_GB007.stat [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD000.cx [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD001.cx [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD002.cx [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD003.cx [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD004.cx [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD005.cx [new file with mode: 0644]
examples/unres/new/MD/Nose_Hoover/ff_gab/1L2Y_MD_MD006.cx [new file with mode: 0644]
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