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

author	Cezary Czaplewski <czarek@chem.univ.gda.pl>
	Fri, 15 Feb 2013 09:16:51 +0000 (10:16 +0100)
committer	Cezary Czaplewski <czarek@chem.univ.gda.pl>
	Fri, 15 Feb 2013 12:10:59 +0000 (13:10 +0100)
commit	b274dbb2372a4c4d84b04531225abe5ddb45741b
tree	799c4cc747edde10ea4032ccd142d9c18bd9ed6b	tree \| snapshot
parent	a1b7a213eef48965c9aa349a761ebeca646a0b7e	commit \| diff

dynamic disulfides are working again in md

Conflicts:

bin/unres/MD/unres_ifort_MPICH_GAB.exe
examples/unres/new/MD/DYN_SS/dyn_ss/small.inp
examples/unres/new/MD/DYN_SS/dyn_ss/unres_eval.csh
examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small.inp
examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small.out_GB000
examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small_000.rst
examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small_GB000.stat
examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small_MD000.pdb
examples/unres/new/MD/DYN_SS/no_ss/small.inp
examples/unres/new/MD/DYN_SS/no_ss/small.out_GB000
examples/unres/new/MD/DYN_SS/no_ss/small_GB000.stat
source/unres/src_MD/cinfo.f
source/unres/src_MD/energy_p_new_barrier.F

22 files changed:

bin/unres/MD/unres_gfortran_single_GAB.exe		diff \| blob \| history
bin/unres/MD/unres_ifort_MPICH_GAB.exe	[new file with mode: 0755]	blob
examples/unres/new/microcanonical/DYN_SS/hth/a.pdb	[new file with mode: 0644]	blob
examples/unres/new/microcanonical/DYN_SS/hth/small.inp	[new file with mode: 0644]	blob
examples/unres/new/microcanonical/DYN_SS/hth/small.intin	[new file with mode: 0644]	blob
examples/unres/new/microcanonical/DYN_SS/hth/small.out_GB000	[new file with mode: 0644]	blob
examples/unres/new/microcanonical/DYN_SS/hth/small_000.rst	[new file with mode: 0644]	blob
examples/unres/new/microcanonical/DYN_SS/hth/small_GB000.int	[new file with mode: 0644]	blob
examples/unres/new/microcanonical/DYN_SS/hth/small_GB000.mol2	[new file with mode: 0644]	blob
examples/unres/new/microcanonical/DYN_SS/hth/small_GB000.pdb	[new file with mode: 0644]	blob
examples/unres/new/microcanonical/DYN_SS/hth/small_GB000.stat	[new file with mode: 0644]	blob
examples/unres/new/microcanonical/DYN_SS/hth/small_MD000.pdb	[new file with mode: 0644]	blob
examples/unres/new/microcanonical/DYN_SS/hth/unres_eval.csh	[new file with mode: 0755]	blob
examples/unres/new/microcanonical/DYN_SS/hth/unres_eval_gfortran.csh	[new file with mode: 0755]	blob
source/unres/src_MD/COMMON.DERIV		diff \| blob \| history
source/unres/src_MD/MD_A-MTS.F		diff \| blob \| history
source/unres/src_MD/Makefile_MPICH_ifort		diff \| blob \| history
source/unres/src_MD/Makefile_single_gfortran		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/geomout.F		diff \| blob \| history
source/unres/src_MD/ssMD.F		diff \| blob \| history

UNRESPACK 3.x

RSS Atom