mmka.chem.univ.gda.pl Git - unres.git/commit

author	Cezary Czaplewski <czarek@chem.univ.gda.pl>
	Fri, 9 Nov 2012 09:04:26 +0000 (10:04 +0100)
committer	Cezary Czaplewski <czarek@chem.univ.gda.pl>
	Fri, 9 Nov 2012 09:04:26 +0000 (10:04 +0100)
commit	3fc7e5eaa3b384501e4864c64ade3c92121fa283
tree	cd7894761b8e3aefed8121de43b24f9ced446678	tree \| snapshot
parent	fbb1880ba2f52309ca4d0545f1799a181ffcbd81	commit \| diff

dynamic SS bond tests

25 files changed:

bin/unres/MD/unres_ifort_MPICH_GAB.exe		diff \| blob \| history
examples/unres/new/MD/DYN_SS/dyn_ss/small.inp		diff \| blob \| history
examples/unres/new/MD/DYN_SS/dyn_ss/small.out_GB000		diff \| blob \| history
examples/unres/new/MD/DYN_SS/no_ss/small.out_GB000		diff \| blob \| history
examples/unres/new/MD/DYN_SS/ss/4/PI29590	[deleted file]	blob \| history
examples/unres/new/MD/DYN_SS/ss/4/fort.2		diff \| blob \| history
examples/unres/new/MD/DYN_SS/ss/4/small.out_GB000		diff \| blob \| history
examples/unres/new/MD/DYN_SS/ss/4/small_000.rst		diff \| blob \| history
examples/unres/new/MD/DYN_SS/ss/4/small_GB000.stat		diff \| blob \| history
examples/unres/new/MD/DYN_SS/ss/4/small_MD000.pdb		diff \| blob \| history
examples/unres/new/MD/DYN_SS/ss/small.inp		diff \| blob \| history
examples/unres/new/MD/DYN_SS/ss/small.out_GB	[deleted file]	blob \| history
examples/unres/new/MD/DYN_SS/ss/small.out_GB000		diff \| blob \| history
examples/unres/new/MD/DYN_SS/ss/small.rst	[deleted file]	blob \| history
examples/unres/new/MD/DYN_SS/ss/small_000.rst		diff \| blob \| history
examples/unres/new/MD/DYN_SS/ss/small_GB.int	[deleted file]	blob \| history
examples/unres/new/MD/DYN_SS/ss/small_GB.mol2	[deleted file]	blob \| history
examples/unres/new/MD/DYN_SS/ss/small_GB.pdb	[deleted file]	blob \| history
examples/unres/new/MD/DYN_SS/ss/small_GB.stat	[deleted file]	blob \| history
examples/unres/new/MD/DYN_SS/ss/small_GB000.stat		diff \| blob \| history
examples/unres/new/MD/DYN_SS/ss/small_MD.pdb	[deleted file]	blob \| history
examples/unres/new/MD/DYN_SS/ss/small_MD000.pdb		diff \| blob \| history
source/unres/src_MD/cinfo.f		diff \| blob \| history
source/unres/src_MD/energy_p_new_barrier.F		diff \| blob \| history
source/unres/src_MD/readrtns.F		diff \| blob \| history

UNRESPACK 3.x

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