copy src_MD-M-SAXS-homology src-HCD-5D
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 24 Mar 2020 01:23:10 +0000 (02:23 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 24 Mar 2020 01:23:10 +0000 (02:23 +0100)
commit020e579626d686ec20ecd9f0cc4c8313f474e152
treecdb18a7b648683d052dca82ad656dce1ad6d35a4
parentec9c93770c9e77ea31d2832f8598e3dbdac629d6
copy src_MD-M-SAXS-homology src-HCD-5D
437 files changed:
source/cluster/wham/src-HCD-5D/CMakeLists.txt [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.CHAIN [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.CLUSTER [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.CONTACTS.org [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.CONTROL [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.DFA [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.FFIELD [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.FREE [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.GEO [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.HEADER [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.HOMOLOGY [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.HOMRESTR [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.IOUNITS [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.LANGEVIN [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.MCM [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.MINIM [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.MPI [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.NAMES [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.SAXS [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.SBRIDGE [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.SCCOR [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.SCROT [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.SHIELD [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.TEMPFAC [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.THREAD [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.TIME1 [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.TORSION.org [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/COMMON.VAR [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/DIMENSIONS [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/DIMENSIONS.COMPAR [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/Makefile [new symlink]
source/cluster/wham/src-HCD-5D/Makefile-MPICH-gfortran [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/Makefile-MPICH-ifort [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/Makefile-MPICH-ifort-okeanos [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/Makefile-MPICH-ifort-prometheus [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/Makefile-okeanos [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/TMscore.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/arcos.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/cartprint.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/chain_symmetry.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/chainbuild.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/compinfo.c [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/contact.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/convert.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/dfa.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/energy_p_new.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/energy_p_new.F.safe [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/fitsq.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/geomout.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/gnmr1.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/hc.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/icant.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.CALC [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.CONTACTS [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.CONTACTS.safe [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.CONTPAR [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.DERIV [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.DERIV.org [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.FRAG [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.GEO [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.HEADER [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.INTERACT [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.LOCAL [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.MINIM [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.SCCOR [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.SCROT [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.SETUP [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.SPLITELE [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.TIME1 [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.TORCNSTR [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.TORSION [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.TORSION.org [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.VECTORS [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/include_unres/COMMON.WEIGHTS [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/initialize.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/initialize.f_org [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/initialize_p.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/int_from_cart1.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/intcor.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/iperm.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/log [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/main_clust.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/matmult.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/misc.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/noyes.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/oligomer.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/parmread.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/permut.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/pinorm.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/printmat.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/probabl.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/proc_proc.c [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/read_constr_homology.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/read_coords.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/read_ref_str.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/readpdb.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/readpdb.f.safe [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/readrtns.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/refsys.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/rescode.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/rmscalc.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/rmsnat.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/seq2chains.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/setup_var.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/sizesclu.dat [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/srtclust.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/ssMD.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/timing.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/track.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/work_partition.F [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/wrtclust.f [new file with mode: 0644]
source/cluster/wham/src-HCD-5D/xdrf [new symlink]
source/unres/src-HCD-5D/CMakeLists.txt [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.BANK [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.BOUNDS [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.CACHE [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.CALC [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.CHAIN [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.CONTACTS [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.CONTACTS.moment [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.CONTROL [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.CSA [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.DBASE [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.DERIV [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.DFA [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.DISTFIT [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.FFIELD [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.GEO [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.HAIRPIN [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.HEADER [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.INFO [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.INTERACT [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.IOUNITS [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.LANGEVIN [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.LANGEVIN.lang0 [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.LANGEVIN.lang0_ [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.LOCAL [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.LOCMOVE [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.MAP [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.MAXGRAD [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.MCE [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.MCM [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.MD [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.MINIM [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.MUCA [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.NAMES [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.PMF [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.REMD [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.SBRIDGE [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.SCCOR [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.SCROT [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.SETUP [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.SHIELD [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.SPLITELE [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.THREAD [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.TIME1 [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.TORCNSTR [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.TORSION [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.VAR [new file with mode: 0644]
source/unres/src-HCD-5D/COMMON.VECTORS [new file with mode: 0644]
source/unres/src-HCD-5D/DIMENSIONS [new file with mode: 0644]
source/unres/src-HCD-5D/DIMENSIONS.2100 [new file with mode: 0644]
source/unres/src-HCD-5D/DIMENSIONS.4100 [new file with mode: 0644]
source/unres/src-HCD-5D/DIMENSIONS.PMF [new file with mode: 0644]
source/unres/src-HCD-5D/MD_A-MTS.F [new file with mode: 0644]
source/unres/src-HCD-5D/MP.F [new file with mode: 0644]
source/unres/src-HCD-5D/MREMD-permut.F [new file with mode: 0644]
source/unres/src-HCD-5D/MREMD.F [new file with mode: 0644]
source/unres/src-HCD-5D/MREMD.F.drabinka [new file with mode: 0644]
source/unres/src-HCD-5D/MREMD_nosy1traj.F [new file with mode: 0644]
source/unres/src-HCD-5D/Makefile [new symlink]
source/unres/src-HCD-5D/Makefile-okeanos [new file with mode: 0644]
source/unres/src-HCD-5D/Makefile.old [new file with mode: 0644]
source/unres/src-HCD-5D/Makefile_MPICH_gfortran [new file with mode: 0644]
source/unres/src-HCD-5D/Makefile_MPICH_ifort [new file with mode: 0644]
source/unres/src-HCD-5D/Makefile_MPICH_ifort-okeanos [new file with mode: 0644]
source/unres/src-HCD-5D/Makefile_MPICH_ifort-prometheus [new file with mode: 0644]
source/unres/src-HCD-5D/Makefile_MPICH_pgf90 [new file with mode: 0644]
source/unres/src-HCD-5D/Makefile_bluegene [new file with mode: 0644]
source/unres/src-HCD-5D/Makefile_single_gfortran [new file with mode: 0644]
source/unres/src-HCD-5D/Makefile_single_ifort [new file with mode: 0644]
source/unres/src-HCD-5D/PMFprocess.F [new file with mode: 0644]
source/unres/src-HCD-5D/README [new file with mode: 0644]
source/unres/src-HCD-5D/TAU [new file with mode: 0644]
source/unres/src-HCD-5D/TAU_setup.sh [new file with mode: 0644]
source/unres/src-HCD-5D/WHAM_q-single.f [new file with mode: 0644]
source/unres/src-HCD-5D/add.f [new file with mode: 0644]
source/unres/src-HCD-5D/arcos.f [new file with mode: 0644]
source/unres/src-HCD-5D/banach.f [new file with mode: 0644]
source/unres/src-HCD-5D/bank.F [new file with mode: 0644]
source/unres/src-HCD-5D/blas.f [new file with mode: 0644]
source/unres/src-HCD-5D/bond_move.f [new file with mode: 0644]
source/unres/src-HCD-5D/brown_step.F [new file with mode: 0644]
source/unres/src-HCD-5D/cartder.F [new file with mode: 0644]
source/unres/src-HCD-5D/cartprint.f [new file with mode: 0644]
source/unres/src-HCD-5D/chain_symmetry.F [new file with mode: 0644]
source/unres/src-HCD-5D/chainbuild.F [new file with mode: 0644]
source/unres/src-HCD-5D/check_bond.f [new file with mode: 0644]
source/unres/src-HCD-5D/check_sc_distr.f [new file with mode: 0644]
source/unres/src-HCD-5D/check_sc_map.f [new file with mode: 0644]
source/unres/src-HCD-5D/checkder_p.F [new file with mode: 0644]
source/unres/src-HCD-5D/checkvar.f [new file with mode: 0644]
source/unres/src-HCD-5D/common.size [new file with mode: 0644]
source/unres/src-HCD-5D/common.size.orig [new file with mode: 0644]
source/unres/src-HCD-5D/compare_s1.F [new file with mode: 0644]
source/unres/src-HCD-5D/compinfo.c [new file with mode: 0644]
source/unres/src-HCD-5D/contact.f [new file with mode: 0644]
source/unres/src-HCD-5D/convert.f [new file with mode: 0644]
source/unres/src-HCD-5D/cored.f [new file with mode: 0644]
source/unres/src-HCD-5D/csa.f [new file with mode: 0644]
source/unres/src-HCD-5D/deconstrq_num.F [new file with mode: 0644]
source/unres/src-HCD-5D/dfa.F [new file with mode: 0644]
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source/unres/src-HCD-5D/dihed_cons.F [new file with mode: 0644]
source/unres/src-HCD-5D/distfit.f [new file with mode: 0644]
source/unres/src-HCD-5D/djacob.f [new file with mode: 0644]
source/unres/src-HCD-5D/econstr_local.F [new file with mode: 0644]
source/unres/src-HCD-5D/econstr_qlike.F [new file with mode: 0644]
source/unres/src-HCD-5D/econstrq-PMF.F [new file with mode: 0644]
source/unres/src-HCD-5D/econstrq.F [new file with mode: 0644]
source/unres/src-HCD-5D/ecorr_num.f [new file with mode: 0644]
source/unres/src-HCD-5D/eelec.F [new file with mode: 0644]
source/unres/src-HCD-5D/eelecij.F [new file with mode: 0644]
source/unres/src-HCD-5D/eelecij_scale.F [new file with mode: 0644]
source/unres/src-HCD-5D/eigen.f [new file with mode: 0644]
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source/unres/src-HCD-5D/energy_p_new-sep.F [new file with mode: 0644]
source/unres/src-HCD-5D/energy_p_new-sep_barrier.F [new file with mode: 0644]
source/unres/src-HCD-5D/energy_p_new_barrier.F [new file with mode: 0644]
source/unres/src-HCD-5D/energy_p_new_barrier.F.orig [new file with mode: 0644]
source/unres/src-HCD-5D/energy_split-sep.F [new file with mode: 0644]
source/unres/src-HCD-5D/entmcm.F [new file with mode: 0644]
source/unres/src-HCD-5D/fitsq.f [new file with mode: 0644]
source/unres/src-HCD-5D/gauss.f [new file with mode: 0644]
source/unres/src-HCD-5D/gen_rand_conf.F [new file with mode: 0644]
source/unres/src-HCD-5D/geomout.F [new file with mode: 0644]
source/unres/src-HCD-5D/gnmr1.f [new file with mode: 0644]
source/unres/src-HCD-5D/gradient_p.F [new file with mode: 0644]
source/unres/src-HCD-5D/indexx.f [new file with mode: 0644]
source/unres/src-HCD-5D/initialize_p.F [new file with mode: 0644]
source/unres/src-HCD-5D/int_to_cart.f [new file with mode: 0644]
source/unres/src-HCD-5D/intcartderiv.F [new file with mode: 0644]
source/unres/src-HCD-5D/intcor.f [new file with mode: 0644]
source/unres/src-HCD-5D/intlocal.f [new file with mode: 0644]
source/unres/src-HCD-5D/iperm.f [new file with mode: 0644]
source/unres/src-HCD-5D/isnan.f [new file with mode: 0644]
source/unres/src-HCD-5D/kinetic_lesyng.f [new file with mode: 0644]
source/unres/src-HCD-5D/lagrangian_lesyng.F [new file with mode: 0644]
source/unres/src-HCD-5D/lista.txt [new file with mode: 0644]
source/unres/src-HCD-5D/local_move.f [new file with mode: 0644]
source/unres/src-HCD-5D/map.f [new file with mode: 0644]
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source/unres/src-HCD-5D/mcm.F [new file with mode: 0644]
source/unres/src-HCD-5D/minim_jlee.F [new file with mode: 0644]
source/unres/src-HCD-5D/minim_mcmf.F [new file with mode: 0644]
source/unres/src-HCD-5D/minimize_p.F [new file with mode: 0644]
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