update
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Thu, 12 Mar 2020 21:52:34 +0000 (22:52 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Thu, 12 Mar 2020 21:52:34 +0000 (22:52 +0100)
commit34d3ad3987785642be58fb2f26557d3314215577
treeff7a3aed01b89ff79d0b904523ce2908255b45c9
parentf690e8b70bab14132839afebf080d4a28363b226
update
1210 files changed:
PARAM/bond_AM1_ext.parm
PARAM/pot_theta_G631_DIL.parm
PARAM/rotamers_AM1_aura.10022007.ext.parm [deleted file]
PARAM/sc2scext [deleted file]
PARAM/sc2scext.f [deleted file]
PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
PARAM/scinter_GB.parm
PARAM/scinter_GB_ext.parm
PARAM/scparm.adam_30_10_2013 [deleted file]
source/cluster/wham/src-M/CMakeLists.txt
source/cluster/wham/src-M/COMMON.CHAIN
source/cluster/wham/src-M/COMMON.CLUSTER
source/cluster/wham/src-M/COMMON.CONTACTS [deleted file]
source/cluster/wham/src-M/COMMON.CONTROL
source/cluster/wham/src-M/COMMON.DERIV [deleted file]
source/cluster/wham/src-M/COMMON.FFIELD
source/cluster/wham/src-M/COMMON.IOUNITS
source/cluster/wham/src-M/COMMON.LOCAL [deleted file]
source/cluster/wham/src-M/COMMON.NAMES
source/cluster/wham/src-M/COMMON.SBRIDGE
source/cluster/wham/src-M/COMMON.SCCOR
source/cluster/wham/src-M/COMMON.SCROT
source/cluster/wham/src-M/COMMON.TORSION [deleted file]
source/cluster/wham/src-M/COMMON.VAR
source/cluster/wham/src-M/DIMENSIONS
source/cluster/wham/src-M/Makefile
source/cluster/wham/src-M/Makefile-MPI [deleted file]
source/cluster/wham/src-M/Makefile-MPI-INTEL [deleted file]
source/cluster/wham/src-M/Makefile-MPI-INTEL-old [deleted file]
source/cluster/wham/src-M/Makefile-MPI-opteron [deleted file]
source/cluster/wham/src-M/Makefile-MPI-opteron-old [deleted file]
source/cluster/wham/src-M/Makefile-MPI-w-opteron [deleted file]
source/cluster/wham/src-M/Makefile-MPICH-ifort
source/cluster/wham/src-M/arcos.f
source/cluster/wham/src-M/chainbuild.f
source/cluster/wham/src-M/contact.f
source/cluster/wham/src-M/energy_p_new.F
source/cluster/wham/src-M/geomout.F
source/cluster/wham/src-M/gnmr1.f
source/cluster/wham/src-M/hc.f
source/cluster/wham/src-M/include_unres/COMMON.CALC
source/cluster/wham/src-M/include_unres/COMMON.CONTACTS
source/cluster/wham/src-M/include_unres/COMMON.DERIV
source/cluster/wham/src-M/include_unres/COMMON.INTERACT
source/cluster/wham/src-M/include_unres/COMMON.LOCAL
source/cluster/wham/src-M/include_unres/COMMON.NAMES [deleted file]
source/cluster/wham/src-M/include_unres/COMMON.SCCOR
source/cluster/wham/src-M/include_unres/COMMON.SCROT
source/cluster/wham/src-M/include_unres/COMMON.TORCNSTR
source/cluster/wham/src-M/include_unres/COMMON.TORSION
source/cluster/wham/src-M/include_unres/COMMON.WEIGHTS
source/cluster/wham/src-M/initialize.f
source/cluster/wham/src-M/initialize_p.F
source/cluster/wham/src-M/int_from_cart1.f
source/cluster/wham/src-M/main_clust.F
source/cluster/wham/src-M/obackup/arcos.o [deleted file]
source/cluster/wham/src-M/obackup/cartprint.o [deleted file]
source/cluster/wham/src-M/obackup/chainbuild.o [deleted file]
source/cluster/wham/src-M/obackup/contact.o [deleted file]
source/cluster/wham/src-M/obackup/convert.o [deleted file]
source/cluster/wham/src-M/obackup/energy_p_new.o [deleted file]
source/cluster/wham/src-M/obackup/fitsq.o [deleted file]
source/cluster/wham/src-M/obackup/geomout.o [deleted file]
source/cluster/wham/src-M/obackup/gnmr1.o [deleted file]
source/cluster/wham/src-M/obackup/hc.o [deleted file]
source/cluster/wham/src-M/obackup/icant.o [deleted file]
source/cluster/wham/src-M/obackup/initialize_p.o [deleted file]
source/cluster/wham/src-M/obackup/int_from_cart1.o [deleted file]
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source/cluster/wham/src-M/obackup/main_clust.o [deleted file]
source/cluster/wham/src-M/obackup/matmult.o [deleted file]
source/cluster/wham/src-M/obackup/misc.o [deleted file]
source/cluster/wham/src-M/obackup/noyes.o [deleted file]
source/cluster/wham/src-M/obackup/parmread.o [deleted file]
source/cluster/wham/src-M/obackup/permut.o [deleted file]
source/cluster/wham/src-M/obackup/pinorm.o [deleted file]
source/cluster/wham/src-M/obackup/printmat.o [deleted file]
source/cluster/wham/src-M/obackup/probabl.o [deleted file]
source/cluster/wham/src-M/obackup/proc_proc.o [deleted file]
source/cluster/wham/src-M/obackup/read_coords.o [deleted file]
source/cluster/wham/src-M/obackup/read_ref_str.o [deleted file]
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source/cluster/wham/src-M/obackup/rescode.o [deleted file]
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source/cluster/wham/src-M/obackup/srtclust.o [deleted file]
source/cluster/wham/src-M/obackup/timing.o [deleted file]
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source/cluster/wham/src-M/obackup/work_partition.o [deleted file]
source/cluster/wham/src-M/obackup/wrtclust.o [deleted file]
source/cluster/wham/src-M/parmread.F
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source/cluster/wham/src-M/readrtns.F
source/cluster/wham/src-M/rescode.f
source/cluster/wham/src-M/sizesclu.dat
source/cluster/wham/src-M/srtclust.f
source/cluster/wham/src-M/work_partition.F
source/cluster/wham/src-M/wrtclust.f
source/cluster/wham/src-M/xdrf/Makefile [deleted file]
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source/cluster/wham/src-M/xdrf/ftocstr.c [deleted file]
source/cluster/wham/src-M/xdrf/libxdrf.m4 [deleted file]
source/cluster/wham/src-M/xdrf/types.h [deleted file]
source/cluster/wham/src-M/xdrf/underscore.m4 [deleted file]
source/cluster/wham/src-M/xdrf/xdr.c [deleted file]
source/cluster/wham/src-M/xdrf/xdr.h [deleted file]
source/cluster/wham/src-M/xdrf/xdr_array.c [deleted file]
source/cluster/wham/src-M/xdrf/xdr_float.c [deleted file]
source/cluster/wham/src-M/xdrf/xdr_stdio.c [deleted file]
source/cluster/wham/src-M/xdrf/xdrf.h [deleted file]
source/cluster/wham/src/CMakeLists.txt
source/cluster/wham/src/COMMON.CLUSTER
source/cluster/wham/src/COMMON.CONTROL
source/cluster/wham/src/COMMON.SCCOR
source/cluster/wham/src/DIMENSIONS
source/cluster/wham/src/Makefile-MPICH-ifort
source/cluster/wham/src/arcos.f
source/cluster/wham/src/energy_p_new.F
source/cluster/wham/src/include_unres/COMMON.CONTACTS [deleted file]
source/cluster/wham/src/include_unres/COMMON.FFIELD [deleted file]
source/cluster/wham/src/include_unres/COMMON.NAMES [deleted file]
source/cluster/wham/src/include_unres/COMMON.SBRIDGE
source/cluster/wham/src/include_unres/COMMON.SCCOR [deleted file]
source/cluster/wham/src/initialize_p.F
source/cluster/wham/src/main_clust.F
source/cluster/wham/src/parmread.F
source/cluster/wham/src/probabl.F
source/cluster/wham/src/read_coords.F
source/cluster/wham/src/readrtns.F
source/cluster/wham/src/wrtclust.f
source/cluster/wham/src/xdrf/Makefile [deleted file]
source/cluster/wham/src/xdrf/Makefile_jubl [deleted file]
source/cluster/wham/src/xdrf/Makefile_linux [deleted file]
source/cluster/wham/src/xdrf/RS6K.m4 [deleted file]
source/cluster/wham/src/xdrf/ftocstr.c [deleted file]
source/cluster/wham/src/xdrf/libxdrf.m4 [deleted file]
source/cluster/wham/src/xdrf/types.h [deleted file]
source/cluster/wham/src/xdrf/underscore.m4 [deleted file]
source/cluster/wham/src/xdrf/xdr.c [deleted file]
source/cluster/wham/src/xdrf/xdr.h [deleted file]
source/cluster/wham/src/xdrf/xdr_array.c [deleted file]
source/cluster/wham/src/xdrf/xdr_float.c [deleted file]
source/cluster/wham/src/xdrf/xdr_stdio.c [deleted file]
source/cluster/wham/src/xdrf/xdrf.h [deleted file]
source/pymol/UNRESInpGen.py [changed mode: 0755->0644]
source/pymol/show_UNRES.py
source/unres/src_CSA/CMakeLists.txt
source/unres/src_CSA/COMMON.DFA
source/unres/src_CSA/COMMON.SCCOR
source/unres/src_CSA/COMMON.TORSION
source/unres/src_CSA/Makefile
source/unres/src_CSA/Makefile-DFA-NEWPARM.kias [deleted file]
source/unres/src_CSA/Makefile-DFA-NEWPARM.piasek [deleted file]
source/unres/src_CSA/Makefile-DFA-OLDPARM.galera [deleted file]
source/unres/src_CSA/Makefile-DFA-OLDPARM.gfortran [deleted file]
source/unres/src_CSA/Makefile-DFA-OLDPARM.kias [deleted file]
source/unres/src_CSA/Makefile-DFA-OLDPARM.piasek [deleted file]
source/unres/src_CSA/Makefile-single_4P [deleted file]
source/unres/src_CSA/Makefile_4P [deleted file]
source/unres/src_CSA/Makefile_CASP3 [deleted file]
source/unres/src_CSA/csa.f [deleted file]
source/unres/src_CSA/energy_p_new_barrier.F
source/unres/src_CSA/initialize_p.F
source/unres/src_CSA/local_move.f
source/unres/src_CSA/parmread.F
source/unres/src_CSA/readrtns_csa.F
source/unres/src_CSA/together.F
source/unres/src_CSA_DiL/CMakeLists.txt
source/unres/src_CSA_DiL/COMMON.BANK [deleted file]
source/unres/src_CSA_DiL/COMMON.BOUNDS [deleted file]
source/unres/src_CSA_DiL/COMMON.CALC [deleted file]
source/unres/src_CSA_DiL/COMMON.CHAIN [deleted file]
source/unres/src_CSA_DiL/COMMON.CONTACTS [deleted file]
source/unres/src_CSA_DiL/COMMON.CONTACTS.MOMENT [deleted file]
source/unres/src_CSA_DiL/COMMON.CONTROL [deleted file]
source/unres/src_CSA_DiL/COMMON.CSA [deleted file]
source/unres/src_CSA_DiL/COMMON.DERIV [deleted file]
source/unres/src_CSA_DiL/COMMON.DFA [deleted file]
source/unres/src_CSA_DiL/COMMON.DISTFIT [deleted file]
source/unres/src_CSA_DiL/COMMON.FFIELD [deleted file]
source/unres/src_CSA_DiL/COMMON.GEO [deleted file]
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source/unres/src_CSA_DiL/COMMON.INFO [deleted file]
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source/unres/src_CSA_DiL/COMMON.LOCMOVE [deleted file]
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source/unres/src_CSA_DiL/Makefile
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source/unres/src_CSA_DiL/README.Juyong [deleted file]
source/unres/src_CSA_DiL/TMscore_subroutine.f [deleted file]
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source/unres/src_CSA_DiL/banach.f [deleted file]
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source/unres/src_CSA_DiL/cartprint.f [deleted file]
source/unres/src_CSA_DiL/chainbuild.F [deleted file]
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source/unres/src_CSA_DiL/cinfo.f [deleted file]
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