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(parent: 55d75fc) | patch
- added UNRES Multichain examples
authorDawid Jagiela <lightnir@chem.univ.gda.pl>
Thu, 10 May 2012 14:09:59 +0000 (16:09 +0200)
committerDawid Jagiela <lightnir@chem.univ.gda.pl>
Thu, 10 May 2012 14:09:59 +0000 (16:09 +0200)
commit43fd38cadfbe4659305fdd450cb851601dd6654c
treebdb8aebcb4d183d2726868d02d03a5e4304a65e5tree | snapshot
parent55d75fc5211f284fc032dbb7fbb0fb6eff427a10commit | diff
- added UNRES Multichain examples
- CMake for src_MIN
- junkfiles cleanup
46 files changed:
CMakeLists.txt diff | blob | history
examples/unres/MD/Multichain/1DKZ-gab-ber.inp [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ber.intin [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ber.out_GB000 [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ber_000.rst [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ber_GB000.int [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ber_GB000.mol2 [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ber_GB000.pdb [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ber_GB000.stat [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ber_MD000.pdb [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ene.inp [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ene.intin [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ene.out_GB000 [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ene_GB000.int [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ene_GB000.mol2 [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ene_GB000.pdb [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ-gab-ene_GB000.stat [new file with mode: 0644] blob
examples/unres/MD/Multichain/1DKZ.pdb [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber.inp [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber.intin [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber.out_GB000 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber_000.rst [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber_GB000.int [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber_GB000.mol2 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber_GB000.pdb [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber_GB000.stat [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala10x2_gab-ber_MD000.pdb [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala20.e53409 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala20.e53410 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala20.e53411 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala20.e53412 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala20.o53409 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala20.o53410 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala20.o53411 [new file with mode: 0644] blob
examples/unres/MD/Multichain/ala20.o53412 [new file with mode: 0644] blob
examples/unres/MD/Multichain/fort.12 [new file with mode: 0644] blob
examples/unres/MD/Multichain/start.mat [new file with mode: 0755] blob
examples/unres/MD/Multichain/unres.csh [new file with mode: 0755] blob
source/unres/src_MD-M/.symbolsizes.txt.swp [deleted file] blob | history
source/unres/src_MD-M/CMakeLists.txt diff | blob | history
source/unres/src_MD-M/xdrf/CMakeLists.txt diff | blob | history
source/unres/src_MD-M/xdrf2pdb/Makefile_linux~ [deleted file] blob | history
source/unres/src_MD/CMakeLists.txt diff | blob | history
source/unres/src_MIN/CMakeLists.txt [new file with mode: 0644] blob
source/unres/src_MIN/cinfo.f.new [deleted file] blob | history
source/unres/src_MIN/energy_p_new_barrier.F diff | blob | history
UNRESPACK 3.x