update 5D
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 24 Mar 2020 23:04:57 +0000 (00:04 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Tue, 24 Mar 2020 23:04:57 +0000 (00:04 +0100)
commit54db1bf2ba1722aaedea911119bc3f3eed3122bd
treebc6e14bd9b9414b4db2e2e251ae4ad6786cee2e4
parentbcd53182a1af1e9a0c919ebf0812fbc70bf42d5d
update 5D
288 files changed:
source/cluster/wham/src-HCD/CMakeLists.txt [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.CHAIN [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.CLUSTER [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.CONTACTS.org [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.CONTROL [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.DFA [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.FFIELD [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.FREE [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.GEO [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.HEADER [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.HOMOLOGY [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.HOMRESTR [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.IOUNITS [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.LANGEVIN [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.MCM [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.MINIM [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.MPI [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.NAMES [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.SAXS [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.SBRIDGE [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.SCCOR [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.SCROT [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.SHIELD [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.TEMPFAC [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.THREAD [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.TIME1 [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.TORSION.org [new file with mode: 0644]
source/cluster/wham/src-HCD/COMMON.VAR [new file with mode: 0644]
source/cluster/wham/src-HCD/DIMENSIONS [new file with mode: 0644]
source/cluster/wham/src-HCD/DIMENSIONS.COMPAR [new file with mode: 0644]
source/cluster/wham/src-HCD/Makefile [new symlink]
source/cluster/wham/src-HCD/Makefile-MPICH-gfortran [new file with mode: 0644]
source/cluster/wham/src-HCD/Makefile-MPICH-ifort [new file with mode: 0644]
source/cluster/wham/src-HCD/Makefile-MPICH-ifort-okeanos [new file with mode: 0644]
source/cluster/wham/src-HCD/Makefile-MPICH-ifort-prometheus [new file with mode: 0644]
source/cluster/wham/src-HCD/Makefile-okeanos [new file with mode: 0644]
source/cluster/wham/src-HCD/TMscore.F [new file with mode: 0644]
source/cluster/wham/src-HCD/arcos.f [new file with mode: 0644]
source/cluster/wham/src-HCD/bakup/main_clust.F [new file with mode: 0644]
source/cluster/wham/src-HCD/bakup/permut.f [new file with mode: 0644]
source/cluster/wham/src-HCD/bakup/probabl.F [new file with mode: 0644]
source/cluster/wham/src-HCD/bakup/read_coords.F [new file with mode: 0644]
source/cluster/wham/src-HCD/cartprint.f [new file with mode: 0644]
source/cluster/wham/src-HCD/chain_symmetry.F [new file with mode: 0644]
source/cluster/wham/src-HCD/chainbuild.f [new file with mode: 0644]
source/cluster/wham/src-HCD/compinfo.c [new file with mode: 0644]
source/cluster/wham/src-HCD/contact.f [new file with mode: 0644]
source/cluster/wham/src-HCD/convert.f [new file with mode: 0644]
source/cluster/wham/src-HCD/dfa.F [new file with mode: 0644]
source/cluster/wham/src-HCD/energy_p_new.F [new file with mode: 0644]
source/cluster/wham/src-HCD/energy_p_new.F.safe [new file with mode: 0644]
source/cluster/wham/src-HCD/fitsq.f [new file with mode: 0644]
source/cluster/wham/src-HCD/geomout.F [new file with mode: 0644]
source/cluster/wham/src-HCD/gnmr1.f [new file with mode: 0644]
source/cluster/wham/src-HCD/hc.f [new file with mode: 0644]
source/cluster/wham/src-HCD/icant.f [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.CALC [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.CONTACTS [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.CONTACTS.org [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.CONTACTS.safe [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.CONTMAT [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.CONTPAR [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.CORRMAT [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.DERIV [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.DERIV.org [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.FRAG [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.GEO [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.HEADER [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.INTERACT [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.LOCAL [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.MINIM [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.SCCOR [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.SCROT [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.SETUP [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.SPLITELE [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.TIME1 [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.TORCNSTR [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.TORSION [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.TORSION.org [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.VECTORS [new file with mode: 0644]
source/cluster/wham/src-HCD/include_unres/COMMON.WEIGHTS [new file with mode: 0644]
source/cluster/wham/src-HCD/initialize.f [new file with mode: 0644]
source/cluster/wham/src-HCD/initialize.f_org [new file with mode: 0644]
source/cluster/wham/src-HCD/initialize_p.F [new file with mode: 0644]
source/cluster/wham/src-HCD/int_from_cart1.f [new file with mode: 0644]
source/cluster/wham/src-HCD/intcor.f [new file with mode: 0644]
source/cluster/wham/src-HCD/iperm.f [new file with mode: 0644]
source/cluster/wham/src-HCD/log [new file with mode: 0644]
source/cluster/wham/src-HCD/main_clust.F [new file with mode: 0644]
source/cluster/wham/src-HCD/matmult.f [new file with mode: 0644]
source/cluster/wham/src-HCD/misc.f [new file with mode: 0644]
source/cluster/wham/src-HCD/noyes.f [new file with mode: 0644]
source/cluster/wham/src-HCD/oligomer.f [new file with mode: 0644]
source/cluster/wham/src-HCD/parmread.F [new file with mode: 0644]
source/cluster/wham/src-HCD/permut.F [new file with mode: 0644]
source/cluster/wham/src-HCD/pinorm.f [new file with mode: 0644]
source/cluster/wham/src-HCD/printmat.f [new file with mode: 0644]
source/cluster/wham/src-HCD/probabl.F [new file with mode: 0644]
source/cluster/wham/src-HCD/proc_proc.c [new file with mode: 0644]
source/cluster/wham/src-HCD/read_constr_homology.F [new file with mode: 0644]
source/cluster/wham/src-HCD/read_coords.F [new file with mode: 0644]
source/cluster/wham/src-HCD/read_ref_str.F [new file with mode: 0644]
source/cluster/wham/src-HCD/readpdb.F [new file with mode: 0644]
source/cluster/wham/src-HCD/readpdb.f.safe [new file with mode: 0644]
source/cluster/wham/src-HCD/readrtns.F [new file with mode: 0644]
source/cluster/wham/src-HCD/refsys.f [new file with mode: 0644]
source/cluster/wham/src-HCD/rescode.f [new file with mode: 0644]
source/cluster/wham/src-HCD/rmscalc.F [new file with mode: 0644]
source/cluster/wham/src-HCD/rmsnat.f [new file with mode: 0644]
source/cluster/wham/src-HCD/seq2chains.f [new file with mode: 0644]
source/cluster/wham/src-HCD/setup_var.f [new file with mode: 0644]
source/cluster/wham/src-HCD/sizesclu.dat [new file with mode: 0644]
source/cluster/wham/src-HCD/srtclust.f [new file with mode: 0644]
source/cluster/wham/src-HCD/ssMD.F [new file with mode: 0644]
source/cluster/wham/src-HCD/timing.F [new file with mode: 0644]
source/cluster/wham/src-HCD/track.F [new file with mode: 0644]
source/cluster/wham/src-HCD/work_partition.F [new file with mode: 0644]
source/cluster/wham/src-HCD/wrtclust.f [new file with mode: 0644]
source/cluster/wham/src-HCD/xdrf/Makefile [new file with mode: 0644]
source/cluster/wham/src-HCD/xdrf/Makefile_jubl [new file with mode: 0644]
source/cluster/wham/src-HCD/xdrf/Makefile_linux [new file with mode: 0644]
source/cluster/wham/src-HCD/xdrf/RS6K.m4 [new file with mode: 0644]
source/cluster/wham/src-HCD/xdrf/ftocstr.c [new file with mode: 0644]
source/cluster/wham/src-HCD/xdrf/libxdrf.m4 [new file with mode: 0644]
source/cluster/wham/src-HCD/xdrf/types.h [new file with mode: 0644]
source/cluster/wham/src-HCD/xdrf/underscore.m4 [new file with mode: 0644]
source/cluster/wham/src-HCD/xdrf/xdr.c [new file with mode: 0644]
source/cluster/wham/src-HCD/xdrf/xdr.h [new file with mode: 0644]
source/cluster/wham/src-HCD/xdrf/xdr_array.c [new file with mode: 0644]
source/cluster/wham/src-HCD/xdrf/xdr_float.c [new file with mode: 0644]
source/cluster/wham/src-HCD/xdrf/xdr_stdio.c [new file with mode: 0644]
source/cluster/wham/src-HCD/xdrf/xdrf.h [new file with mode: 0644]
source/unres/src-HCD-5D/MD_A-MTS.F
source/unres/src-HCD-5D/Makefile_MPICH_ifort-okeanos
source/unres/src-HCD-5D/lagrangian_lesyng.F
source/unres/src-HCD-5D/stochfric.F
source/unres/src_MD-M-SAXS/energy_p_new-sep_barrier.F
source/unres/src_MD-M-SAXS/energy_p_new_barrier.F
source/wham/src-HCD/CMakeLists.txt [new file with mode: 0644]
source/wham/src-HCD/COMMON.ALLPARM [new file with mode: 0644]
source/wham/src-HCD/COMMON.CHAIN [new file with mode: 0644]
source/wham/src-HCD/COMMON.COMPAR [new file with mode: 0644]
source/wham/src-HCD/COMMON.CONTACTS1 [new file with mode: 0644]
source/wham/src-HCD/COMMON.CONTROL [new file with mode: 0644]
source/wham/src-HCD/COMMON.CONTROL.org [new file with mode: 0644]
source/wham/src-HCD/COMMON.DFA [new file with mode: 0644]
source/wham/src-HCD/COMMON.ENEPS [new file with mode: 0644]
source/wham/src-HCD/COMMON.ENERGIES [new file with mode: 0644]
source/wham/src-HCD/COMMON.FREE [new file with mode: 0644]
source/wham/src-HCD/COMMON.HOMOLOGY [new file with mode: 0644]
source/wham/src-HCD/COMMON.HOMRESTR [new file with mode: 0644]
source/wham/src-HCD/COMMON.IOUNITS [new file with mode: 0644]
source/wham/src-HCD/COMMON.LANGEVIN [new file with mode: 0644]
source/wham/src-HCD/COMMON.MPI [new file with mode: 0644]
source/wham/src-HCD/COMMON.OBCINKA [new file with mode: 0644]
source/wham/src-HCD/COMMON.PEPTCONT [new file with mode: 0644]
source/wham/src-HCD/COMMON.PMF [new file with mode: 0644]
source/wham/src-HCD/COMMON.PROT [new file with mode: 0644]
source/wham/src-HCD/COMMON.PROTFILES [new file with mode: 0644]
source/wham/src-HCD/COMMON.SAXS [new file with mode: 0644]
source/wham/src-HCD/COMMON.SHIELD [new file with mode: 0644]
source/wham/src-HCD/COMMON.SPLITELE [new file with mode: 0644]
source/wham/src-HCD/COMMON.VAR [new file with mode: 0644]
source/wham/src-HCD/DIMENSIONS [new file with mode: 0644]
source/wham/src-HCD/DIMENSIONS.COMPAR [new file with mode: 0644]
source/wham/src-HCD/DIMENSIONS.FREE [new file with mode: 0644]
source/wham/src-HCD/DIMENSIONS.FREE.old [new file with mode: 0644]
source/wham/src-HCD/DIMENSIONS.ZSCOPT [new file with mode: 0644]
source/wham/src-HCD/Makefile [new symlink]
source/wham/src-HCD/Makefile-okeanos [new file with mode: 0644]
source/wham/src-HCD/Makefile_MPICH_ifort [new file with mode: 0644]
source/wham/src-HCD/Makefile_MPICH_ifort-okeanos [new file with mode: 0644]
source/wham/src-HCD/Makefile_MPICH_ifort-prometheus [new file with mode: 0644]
source/wham/src-HCD/Makefile_MPICH_pgi [new file with mode: 0644]
source/wham/src-HCD/PMFprocess.F [new file with mode: 0644]
source/wham/src-HCD/a [new file with mode: 0644]
source/wham/src-HCD/angnorm.f [new file with mode: 0644]
source/wham/src-HCD/arcos.f [new file with mode: 0644]
source/wham/src-HCD/bxread.F [new file with mode: 0644]
source/wham/src-HCD/cartder.f [new file with mode: 0644]
source/wham/src-HCD/cartprint.f [new file with mode: 0644]
source/wham/src-HCD/chain_symmetry.F [new file with mode: 0644]
source/wham/src-HCD/chainbuild.F [new file with mode: 0644]
source/wham/src-HCD/chainbuild.rrr [new file with mode: 0644]
source/wham/src-HCD/compinfo.c [new file with mode: 0644]
source/wham/src-HCD/conf_compar.F [new file with mode: 0644]
source/wham/src-HCD/cont_frag.f [new file with mode: 0644]
source/wham/src-HCD/contact.f [new file with mode: 0644]
source/wham/src-HCD/contfunc.f [new file with mode: 0644]
source/wham/src-HCD/cxread.F [new file with mode: 0644]
source/wham/src-HCD/cxread.F.org [new file with mode: 0644]
source/wham/src-HCD/define_pairs.f [new file with mode: 0644]
source/wham/src-HCD/dfa.F [new file with mode: 0644]
source/wham/src-HCD/elecont.f [new file with mode: 0644]
source/wham/src-HCD/enecalc1.F [new file with mode: 0644]
source/wham/src-HCD/energy_p_new.F [new file with mode: 0644]
source/wham/src-HCD/energy_p_new.F.org [new file with mode: 0644]
source/wham/src-HCD/fitsq.f [new file with mode: 0644]
source/wham/src-HCD/geomout.F [new file with mode: 0644]
source/wham/src-HCD/gnmr1.f [new file with mode: 0644]
source/wham/src-HCD/icant.f [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.CALC [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.CONTACTS [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.CONTACTS.safe [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.CONTMAT [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.CONTPAR [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.CORRMAT [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.DERIV [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.DERIV_safe [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.FFIELD [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.FRAG [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.GEO [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.HEADER [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.INTERACT [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.LOCAL [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.MINIM [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.NAMES [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.SBRIDGE [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.SCCOR [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.SCROT [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.SETUP [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.TIME1 [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.TORCNSTR [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.TORSION [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.TORSION.safe [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.TOTSION_safe [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.VECTORS [new file with mode: 0644]
source/wham/src-HCD/include_unres/COMMON.WEIGHTS [new file with mode: 0644]
source/wham/src-HCD/initialize_p.F [new file with mode: 0644]
source/wham/src-HCD/initialize_p.F.org [new file with mode: 0644]
source/wham/src-HCD/int_from_cart.f [new file with mode: 0644]
source/wham/src-HCD/intcor.f [new file with mode: 0644]
source/wham/src-HCD/iperm.f [new file with mode: 0644]
source/wham/src-HCD/make_ensemble1.F [new file with mode: 0644]
source/wham/src-HCD/match_contact.f [new file with mode: 0644]
source/wham/src-HCD/matmult.f [new file with mode: 0644]
source/wham/src-HCD/misc.f [new file with mode: 0644]
source/wham/src-HCD/module [new file with mode: 0644]
source/wham/src-HCD/molread_zs.F [new file with mode: 0644]
source/wham/src-HCD/mygetenv.F [new file with mode: 0644]
source/wham/src-HCD/mysort.f [new file with mode: 0644]
source/wham/src-HCD/odlodc.f [new file with mode: 0644]
source/wham/src-HCD/oligomer.F [new file with mode: 0644]
source/wham/src-HCD/openunits.F [new file with mode: 0644]
source/wham/src-HCD/parmread.F [new file with mode: 0644]
source/wham/src-HCD/parmread.F.safe [new file with mode: 0644]
source/wham/src-HCD/permut.F [new file with mode: 0644]
source/wham/src-HCD/pinorm.f [new file with mode: 0644]
source/wham/src-HCD/printmat.f [new file with mode: 0644]
source/wham/src-HCD/proc_cont.f [new file with mode: 0644]
source/wham/src-HCD/proc_proc.c [new file with mode: 0644]
source/wham/src-HCD/promienie.f [new file with mode: 0644]
source/wham/src-HCD/qwolynes.f [new file with mode: 0644]
source/wham/src-HCD/read_constr_homology.F [new file with mode: 0644]
source/wham/src-HCD/read_dist_constr.F [new file with mode: 0644]
source/wham/src-HCD/read_ref_str.F [new file with mode: 0644]
source/wham/src-HCD/readpdb.F [new file with mode: 0644]
source/wham/src-HCD/readpdb.unr [new file with mode: 0644]
source/wham/src-HCD/readrtns.F [new file with mode: 0644]
source/wham/src-HCD/readrtns.F.org [new file with mode: 0644]
source/wham/src-HCD/readrtns_compar.F [new file with mode: 0644]
source/wham/src-HCD/refsys.f [new file with mode: 0644]
source/wham/src-HCD/rescode.f [new file with mode: 0644]
source/wham/src-HCD/rmscalc.F [new file with mode: 0644]
source/wham/src-HCD/scr [new file with mode: 0644]
source/wham/src-HCD/secondary.f [new file with mode: 0644]
source/wham/src-HCD/seq2chains.f [new file with mode: 0644]
source/wham/src-HCD/setup_var.f [new file with mode: 0644]
source/wham/src-HCD/slices.F [new file with mode: 0644]
source/wham/src-HCD/ssMD.F [new file with mode: 0644]
source/wham/src-HCD/store_parm.F [new file with mode: 0644]
source/wham/src-HCD/testseqchains [new file with mode: 0644]
source/wham/src-HCD/testseqchains.f [new file with mode: 0644]
source/wham/src-HCD/timing.F [new file with mode: 0644]
source/wham/src-HCD/timing.F.org [new file with mode: 0644]
source/wham/src-HCD/wham_calc1.F [new file with mode: 0644]
source/wham/src-HCD/wham_calc1.F.safe [new file with mode: 0644]
source/wham/src-HCD/wham_multparm.F [new file with mode: 0644]
source/wham/src-HCD/xdrf/CMakeLists.txt [new file with mode: 0644]
source/wham/src-HCD/xdrf/Makefile [new file with mode: 0644]
source/wham/src-HCD/xdrf/Makefile_jubl [new file with mode: 0644]
source/wham/src-HCD/xdrf/Makefile_linux [new file with mode: 0644]
source/wham/src-HCD/xdrf/RS6K.m4 [new file with mode: 0644]
source/wham/src-HCD/xdrf/ftocstr.c [new file with mode: 0644]
source/wham/src-HCD/xdrf/libxdrf.m4 [new file with mode: 0644]
source/wham/src-HCD/xdrf/underscore.m4 [new file with mode: 0644]
source/wham/src-HCD/xdrf/xdrf.h [new file with mode: 0644]
source/wham/src-HCD/xread.F [new file with mode: 0644]