Added src_MD-M-newcorr (Adasko's source) and src-NEWSC of WHAM (with Momo's SCSC...
authorAdam Liwo <jal47@matrix.chem.cornell.edu>
Thu, 10 Apr 2014 11:57:44 +0000 (07:57 -0400)
committerAdam Liwo <jal47@matrix.chem.cornell.edu>
Thu, 10 Apr 2014 11:57:44 +0000 (07:57 -0400)
commite183793a242a2e234c4a2d4783d3b2829a28d9e8
treeb672cda7241a8294368c3b33f1085aaeaf3ba8b4
parent85d039785d2e6e08a7f572ff5da382ab5961d449
Added src_MD-M-newcorr (Adasko's source) and src-NEWSC of WHAM (with Momo's SCSC potentials)
346 files changed:
bin/unres/MD/unres_mchain-ifort_MPICH_GAB-NEWC.exe
bin/unres/MD/unres_mchain_ifort_MPICH_E0LL2Y-NEWC.exe [new file with mode: 0755]
source/unres/src_MD-M-newcorr/BUGS [new file with mode: 0644]
source/unres/src_MD-M-newcorr/CMakeLists.txt [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.BANK [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.BOUNDS [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.CACHE [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.CALC [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.CHAIN [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.CONTACTS [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.CONTACTS.moment [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.CONTACTS_safe1 [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.CONTROL [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.CSA [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.DBASE [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.DERIV [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.DERIV_safe [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.DISTFIT [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.FFIELD [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.GEO [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.HAIRPIN [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.HEADER [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.INFO [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.INTERACT [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.IOUNITS [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.LANGEVIN [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.LANGEVIN.lang0 [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.LANGEVIN.lang0_ [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.LOCAL [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.LOCMOVE [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.MAP [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.MAXGRAD [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.MCE [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.MCM [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.MD [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.MINIM [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.MUCA [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.NAMES [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.REMD [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.SBRIDGE [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.SCCOR [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.SCROT [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.SETUP [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.SPLITELE [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.THREAD [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.TIME1 [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.TORCNSTR [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.TORSION [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.VAR [new file with mode: 0644]
source/unres/src_MD-M-newcorr/COMMON.VECTORS [new file with mode: 0644]
source/unres/src_MD-M-newcorr/DIMENSIONS [new file with mode: 0644]
source/unres/src_MD-M-newcorr/DIMENSIONS.2100 [new file with mode: 0644]
source/unres/src_MD-M-newcorr/DIMENSIONS.4100 [new file with mode: 0644]
source/unres/src_MD-M-newcorr/DIMENSIONS_safe1 [new file with mode: 0644]
source/unres/src_MD-M-newcorr/MD.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/MD_A-MTS.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/MD_A-MTS.F_safe [new file with mode: 0644]
source/unres/src_MD-M-newcorr/MD_A-MTS.F_safe1 [new file with mode: 0644]
source/unres/src_MD-M-newcorr/MP.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/MREMD.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/MREMD.F.drabinka [new file with mode: 0644]
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source/unres/src_MD-M-newcorr/MREMD_nosy1traj.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile [new symlink]
source/unres/src_MD-M-newcorr/Makefile-biosim [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile-intrepid-with-tau [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile-matrix-intel [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile-matrix3 [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile-matrix3-oldparm [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile-oldparm [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile-rstconv [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile-tau-temp [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile.tau-mpi-f77-pdt [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile.tau-mpi-pdt-pgi.org [new file with mode: 0755]
source/unres/src_MD-M-newcorr/Makefile_MPICH_ifort [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_aix_xlf [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_bigben [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_bigben-oldparm [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_bigben-tau [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_intrepid [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_jubl [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_jubl-debug [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_jubl-opt [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_jubl-opt-oldparm [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_lnx_ifc [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_lnx_ifc10_em64 [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_lnx_ifc10_em64_galera [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_lnx_ifc10_em64_galera-oldparm [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_lnx_ifc10_em64_mpi2 [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_lnx_ifc8 [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_lnx_pgf90 [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_osf_f90 [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_win_ifl [new file with mode: 0644]
source/unres/src_MD-M-newcorr/Makefile_win_pgf90 [new file with mode: 0644]
source/unres/src_MD-M-newcorr/README [new file with mode: 0644]
source/unres/src_MD-M-newcorr/TAU [new file with mode: 0644]
source/unres/src_MD-M-newcorr/TAU_setup.sh [new file with mode: 0755]
source/unres/src_MD-M-newcorr/WVRND [new file with mode: 0644]
source/unres/src_MD-M-newcorr/add.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/arcos.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/banach.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/bank.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/big-sizes [new file with mode: 0644]
source/unres/src_MD-M-newcorr/bigsymbols-lang0.txt [new file with mode: 0644]
source/unres/src_MD-M-newcorr/blas.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/bond_move.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/brown_step.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/cartder.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/cartprint.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/chainbuild.F [new file with mode: 0644]
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source/unres/src_MD-M-newcorr/check_sc_distr.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/check_sc_map.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/checkder_p.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/common.size [new file with mode: 0644]
source/unres/src_MD-M-newcorr/common.size.orig [new file with mode: 0644]
source/unres/src_MD-M-newcorr/compare_s1.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/compinfo.c [new file with mode: 0644]
source/unres/src_MD-M-newcorr/contact.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/convert.f [new file with mode: 0644]
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source/unres/src_MD-M-newcorr/csa.f [new file with mode: 0644]
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source/unres/src_MD-M-newcorr/distfit.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/djacob.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/econstr_local.F [new file with mode: 0644]
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source/unres/src_MD-M-newcorr/elecont.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/energy_p_new-sep.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/energy_p_new-sep_barrier.F [new file with mode: 0644]
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source/unres/src_MD-M-newcorr/energy_p_new_barrier.F [new file with mode: 0644]
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source/unres/src_MD-M-newcorr/energy_split.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/entmcm.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/env.log [new file with mode: 0644]
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source/unres/src_MD-M-newcorr/gauss.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/gen_rand_conf.F [new file with mode: 0644]
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source/unres/src_MD-M-newcorr/make-tau.log [new file with mode: 0644]
source/unres/src_MD-M-newcorr/map.f [new file with mode: 0644]
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source/unres/src_MD-M-newcorr/minim_mcmf.F [new file with mode: 0644]
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source/unres/src_MD-M-newcorr/moments.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/muca_md.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/newconf.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/objects.sizes [new file with mode: 0644]
source/unres/src_MD-M-newcorr/parmread.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/pdtf5579.pdb [new file with mode: 0644]
source/unres/src_MD-M-newcorr/permut.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/pinorm.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/printmat.f [new file with mode: 0644]
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source/unres/src_MD-M-newcorr/proc_proc.c [new file with mode: 0644]
source/unres/src_MD-M-newcorr/q_measure.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/q_measure1.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/q_measure3.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/ran.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/randgens.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/random_multi_chain/cont.unr [new file with mode: 0644]
source/unres/src_MD-M-newcorr/random_multi_chain/ext_mono.pdb [new file with mode: 0644]
source/unres/src_MD-M-newcorr/random_multi_chain/ext_sing.pdb [new file with mode: 0644]
source/unres/src_MD-M-newcorr/random_multi_chain/fort.4 [new file with mode: 0644]
source/unres/src_MD-M-newcorr/random_multi_chain/output.pdb [new file with mode: 0644]
source/unres/src_MD-M-newcorr/random_multi_chain/random.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/random_multi_chain/toggle [new file with mode: 0755]
source/unres/src_MD-M-newcorr/rattle.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/readpdb.F [new file with mode: 0644]
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source/unres/src_MD-M-newcorr/readrtns_CSA.F [new file with mode: 0644]
source/unres/src_MD-M-newcorr/refsys.f [new file with mode: 0644]
source/unres/src_MD-M-newcorr/regularize.F [new file with mode: 0644]
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source/unres/src_MD-M-newcorr/sizes.i [new file with mode: 0644]
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source/unres/src_MD-M-newcorr/xdrf/CMakeLists.txt [new file with mode: 0644]
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source/wham/src-NEWSC/DIMENSIONS.ZSCOPT [new file with mode: 0755]
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source/wham/src-NEWSC/Makefile_matrix_PGI-SCT-oldparm [new file with mode: 0755]
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