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

author	Adam Liwo <jal47@matrix.chem.cornell.edu>
	Sun, 17 Feb 2013 03:34:55 +0000 (22:34 -0500)
committer	Adam Liwo <jal47@matrix.chem.cornell.edu>
	Sun, 17 Feb 2013 04:04:41 +0000 (23:04 -0500)
commit	34b56f82298df0d9781948908b2d93415838d88e
tree	6699fcd78d2d0d028d1ef86e8989d978a637fc31	tree \| snapshot
parent	6faa406438bff5968dc4a386929745cfaf554352	commit \| diff

Fixed the addition of dummy chain ends to structures read from UNRES PDB files
Fixed the bug in arcos.f (returned alpha=0 for cos(alpha)<=-1)

Conflicts:

bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
source/unres/src_MD-M/Makefile

30 files changed:

bin/unres/CSA/unres_csa_ifort_mpich-1.2.7p1.exe		diff \| blob \| history
bin/unres/CSA/unres_dfa_csa-Yi.exe		diff \| blob \| history
bin/unres/MD/unres_Tc_procor_oldparm_em64-D-symetr.exe		diff \| blob \| history
bin/unres/MINIM/unres_ifort_MIN_single_E0LL2Y.exe		diff \| blob \| history
bin/wham/wham_ifort_MPICH_E0LL2Y-DEBUG.exe		diff \| blob \| history
source/unres/src_CSA/Makefile_GAB	[new file with mode: 0644]	blob
source/unres/src_CSA/arcos.f		diff \| blob \| history
source/unres/src_CSA/readpdb.F		diff \| blob \| history
source/unres/src_CSA/refsys.f	[new file with mode: 0644]	blob
source/unres/src_CSA_DiL/arcos.f		diff \| blob \| history
source/unres/src_CSA_DiL/readpdb.F		diff \| blob \| history
source/unres/src_MD-M/COMMON.REFSYS	[deleted file]	blob \| history
source/unres/src_MD-M/Makefile		diff \| blob \| history
source/unres/src_MD-M/arcos.f		diff \| blob \| history
source/unres/src_MD-M/bond_move.f		diff \| blob \| history
source/unres/src_MD-M/readpdb.F		diff \| blob \| history
source/unres/src_MD-M/refsys.f		diff \| blob \| history
source/unres/src_MD/COMMON.REFSYS	[deleted file]	blob \| history
source/unres/src_MD/arcos.f		diff \| blob \| history
source/unres/src_MD/bond_move.f		diff \| blob \| history
source/unres/src_MD/readpdb.F		diff \| blob \| history
source/unres/src_MD/refsys.f		diff \| blob \| history
source/unres/src_MIN/Makefile	[new symlink]	blob
source/unres/src_MIN/Makefile_ifort_single		diff \| blob \| history
source/unres/src_MIN/arcos.f		diff \| blob \| history
source/unres/src_MIN/readpdb.F		diff \| blob \| history
source/unres/src_MIN/refsys.f	[new file with mode: 0644]	blob
source/wham/src/enecalc1.F		diff \| blob \| history
source/wham/src/molread_zs.F		diff \| blob \| history
source/wham/src/readrtns.F		diff \| blob \| history

UNRESPACK 3.x

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