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(parent: b5d6881) | patch
homology from okeanos
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Fri, 7 Feb 2020 01:02:19 +0000 (02:02 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Fri, 7 Feb 2020 01:02:19 +0000 (02:02 +0100)
commitf690e8b70bab14132839afebf080d4a28363b226
tree5719cb5949020b9f5ed21a99f0a82003f053d153tree | snapshot
parentb5d68813d951cb733ec4881b13f504b6d1bf0c5ccommit | diff
homology from okeanos
469 files changed:
source/cluster/wham/src-M-SAXS/CMakeLists.txt [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.CHAIN [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.CLUSTER [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.CONTACTS.org [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.CONTROL [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.FFIELD [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.FREE [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.GEO [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.HEADER [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.IOUNITS [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.LANGEVIN [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.MCM [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.MINIM [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.MPI [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.NAMES [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.SBRIDGE [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.SCCOR [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.SCROT [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.SHIELD [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.TEMPFAC [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.THREAD [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.TIME1 [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.TORSION.org [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/COMMON.VAR [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/DIMENSIONS [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/DIMENSIONS.COMPAR [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/Makefile [new symlink] blob
source/cluster/wham/src-M-SAXS/Makefile-MPICH-gfortran [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/Makefile-MPICH-ifort [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/Makefile-MPICH-ifort-okeanos [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/Makefile-MPICH-ifort-prometheus [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/Makefile-okeanos [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/TMscore.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/arcos.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/cartprint.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/chain_symmetry.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/chainbuild.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/compinfo.c [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/contact.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/convert.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/energy_p_new.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/energy_p_new.F.safe [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/fitsq.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/geomout.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/gnmr1.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/hc.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/icant.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.CALC [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.CONTACTS [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.CONTACTS.safe [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.CONTPAR [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.DERIV [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.DERIV.org [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.FRAG [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.GEO [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.HEADER [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.INTERACT [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.LOCAL [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.MINIM [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.SCCOR [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.SCROT [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.SETUP [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.SPLITELE [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.TIME1 [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.TORCNSTR [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.TORSION [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.TORSION.org [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.VECTORS [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/include_unres/COMMON.WEIGHTS [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/initialize.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/initialize.f_org [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/initialize_p.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/int_from_cart1.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/intcor.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/iperm.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/log [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/main_clust.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/matmult.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/misc.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/noyes.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/oligomer.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/parmread.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/permut.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/pinorm.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/printmat.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/probabl.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/proc_proc.c [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/read_coords.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/read_ref_str.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/readpdb.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/readpdb.f.safe [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/readrtns.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/rescode.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/rmscalc.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/rmsnat.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/seq2chains.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/setup_var.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/sizesclu.dat [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/srtclust.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/ssMD.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/timing.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/track.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/work_partition.F [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/wrtclust.f [new file with mode: 0644] blob
source/cluster/wham/src-M-SAXS/xdrf [new symlink] blob
source/unres/src_MD-M-SAXS-homology/CMakeLists.txt [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.BANK [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.BOUNDS [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.CACHE [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.CALC [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.CHAIN [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.CONTACTS [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.CONTACTS.moment [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.CONTACTS_safe1 [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.CONTROL [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.CSA [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.DBASE [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.DERIV [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.DERIV_safe [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.DFA [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.DISTFIT [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.FFIELD [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.GEO [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.HAIRPIN [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.HEADER [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.INFO [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.INTERACT [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.IOUNITS [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.LANGEVIN [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.LANGEVIN.lang0 [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.LANGEVIN.lang0_ [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.LOCAL [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.LOCMOVE [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.MAP [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.MAXGRAD [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.MCE [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.MCM [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.MD [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.MINIM [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.MUCA [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.NAMES [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.PMF [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.REMD [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.SBRIDGE [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.SCCOR [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.SCROT [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.SETUP [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.SHIELD [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.SPLITELE [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.THREAD [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.TIME1 [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.TORCNSTR [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.TORSION [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.VAR [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/COMMON.VECTORS [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/DIMENSIONS [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/DIMENSIONS.2100 [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/DIMENSIONS.4100 [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/DIMENSIONS.PMF [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/DIMENSIONS_safe1 [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/MD.F [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/MD_A-MTS.F [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/MD_A-MTS.F_safe [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/MD_A-MTS.F_safe1 [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/MD_A-MTS.T [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/MD_A-MTS.Tfe [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/MP.F [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/MREMD-permut.F [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/MREMD.F [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/MREMD.F.drabinka [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/MREMD.F.safe [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/MREMD_nosy1traj.F [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/Makefile [new symlink] blob
source/unres/src_MD-M-SAXS-homology/Makefile-okeanos [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/Makefile.old [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/Makefile_MPICH_gfortran [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/Makefile_MPICH_ifort [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/Makefile_MPICH_ifort-okeanos [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/Makefile_MPICH_ifort-prometheus [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/Makefile_MPICH_pgf90 [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/Makefile_bluegene [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/Makefile_single_gfortran [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/Makefile_single_ifort [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/PMFprocess.F [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/README [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/TAU [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/TAU_setup.sh [new file with mode: 0755] blob
source/unres/src_MD-M-SAXS-homology/WHAM_q-single.f [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/WVRND [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/a [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/add.f [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/arcos.f [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/b [new file with mode: 0644] blob
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source/unres/src_MD-M-SAXS-homology/bank.F [new file with mode: 0644] blob
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source/unres/src_MD-M-SAXS-homology/chain_symmetry.F [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/chainbuild.F [new file with mode: 0644] blob
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source/unres/src_MD-M-SAXS-homology/common.size [new file with mode: 0644] blob
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source/unres/src_MD-M-SAXS-homology/compare_s1.F [new file with mode: 0644] blob
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source/unres/src_MD-M-SAXS-homology/convert.f [new file with mode: 0644] blob
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source/unres/src_MD-M-SAXS-homology/econstr_local.F [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/econstr_qlike [new file with mode: 0644] blob
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source/unres/src_MD-M-SAXS-homology/econstr_qlike.T [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/econstr_qlike.Tfe [new file with mode: 0644] blob
source/unres/src_MD-M-SAXS-homology/econstrq-PMF.F [new file with mode: 0644] blob
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UNRESPACK 3.x