projects / unres.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: ad9ed5d) | patch
Added src_Eshel (decoy processing for threading)
authorAdam Liwo <jal47@matrix.chem.cornell.edu>
Tue, 1 Apr 2014 04:37:15 +0000 (00:37 -0400)
committerAdam Liwo <jal47@matrix.chem.cornell.edu>
Tue, 1 Apr 2014 04:37:15 +0000 (00:37 -0400)
commit85d039785d2e6e08a7f572ff5da382ab5961d449
treee32b5a6ec64b4b055849b84447684317055d0884tree | snapshot
parentad9ed5d804693c0cacdefac64f2ed9efe32025d1commit | diff
Added src_Eshel (decoy processing for threading)
332 files changed:
bin/unres/MD/unres_gfortran_single_decoy_E0LL2Y.exe [new file with mode: 0755] blob
bin/unres/MD/unres_gfortran_single_decoy_GAB.exe [new file with mode: 0755] blob
bin/unres/MD/unres_mchain-ifort_MPICH_GAB-NEWC.exe [new file with mode: 0755] blob
examples/unres/new/MREMD/ff_gab/1L2Y_MREMD.inp.orig [new file with mode: 0644] blob
source/unres/src_Eshel/CMakeLists.txt [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.BOUNDS [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.CACHE [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.CALC [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.CHAIN [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.CONTACTS [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.CONTACTS.moment [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.CONTROL [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.DBASE [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.DERIV [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.DISTFIT [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.ECOMPON [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.FFIELD [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.GEO [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.HAIRPIN [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.HEADER [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.INFO [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.INTERACT [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.IOUNITS [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.LANGEVIN [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.LANGEVIN.lang0 [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.LOCAL [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.LOCMOVE [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.MAP [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.MAXGRAD [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.MCE [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.MCM [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.MD [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.MINIM [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.MUCA [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.NAMES [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.REMD [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.SBRIDGE [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.SCCOR [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.SCROT [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.SETUP [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.SPLITELE [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.THREAD [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.TIME1 [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.TORCNSTR [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.TORSION [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.VAR [new file with mode: 0644] blob
source/unres/src_Eshel/COMMON.VECTORS [new file with mode: 0644] blob
source/unres/src_Eshel/DIMENSIONS [new file with mode: 0644] blob
source/unres/src_Eshel/DIMENSIONS.2100 [new file with mode: 0644] blob
source/unres/src_Eshel/DIMENSIONS.4100 [new file with mode: 0644] blob
source/unres/src_Eshel/MP.F [new file with mode: 0644] blob
source/unres/src_Eshel/Makefile [new symlink] blob
source/unres/src_Eshel/Makefile_MPICH_ifort [new file with mode: 0644] blob
source/unres/src_Eshel/Makefile_single_gfortran [new file with mode: 0644] blob
source/unres/src_Eshel/Makefile_single_ifort [new file with mode: 0644] blob
source/unres/src_Eshel/OLD-Makefiles/Makefile-intrepid-with-tau [new file with mode: 0644] blob
source/unres/src_Eshel/OLD-Makefiles/Makefile.tau-mpi-f77-pdt [new file with mode: 0644] blob
source/unres/src_Eshel/OLD-Makefiles/Makefile_aix_xlf [new file with mode: 0644] blob
source/unres/src_Eshel/OLD-Makefiles/Makefile_bigben [new file with mode: 0644] blob
source/unres/src_Eshel/OLD-Makefiles/Makefile_bigben-oldparm [new file with mode: 0644] blob
source/unres/src_Eshel/OLD-Makefiles/Makefile_bigben-tau [new file with mode: 0644] blob
source/unres/src_Eshel/OLD-Makefiles/Makefile_galera [new file with mode: 0644] blob
source/unres/src_Eshel/OLD-Makefiles/Makefile_intrepid [new file with mode: 0644] blob
source/unres/src_Eshel/OLD-Makefiles/Makefile_lnx_ifc10_opteron [new file with mode: 0644] blob
source/unres/src_Eshel/OLD-Makefiles/Makefile_lnx_ifc10_opteron_oldparm [new file with mode: 0644] blob
source/unres/src_Eshel/README [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/COMMON.MD [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/MD_A-MTS.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/MREMD.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/add.f [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/banach.f [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/blas.f [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/check_sc_distr.f [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/compare_s1.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/eigen.f [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/energy_p_new-sep_barrier.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/energy_split-sep.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/entmcm.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/gauss.f [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/kinetic_lesyng.f [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/lagrangian_lesyng.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/mc.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/mcm.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/minim_mcmf.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/moments.f [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/muca_md.f [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/prng_32.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/q_measure.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/q_measure1.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/q_measure3.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/rattle.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/sort.f [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/stochfric.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/surfatom.f [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/test.F [new file with mode: 0644] blob
source/unres/src_Eshel/SRC-SURPLUS/thread.F [new file with mode: 0644] blob
source/unres/src_Eshel/arcos.f [new file with mode: 0644] blob
source/unres/src_Eshel/bond_move.f [new file with mode: 0644] blob
source/unres/src_Eshel/cartder.F [new file with mode: 0644] blob
source/unres/src_Eshel/cartprint.f [new file with mode: 0644] blob
source/unres/src_Eshel/chainbuild.F [new file with mode: 0644] blob
source/unres/src_Eshel/change.awk [new file with mode: 0644] blob
source/unres/src_Eshel/check_bond.f [new file with mode: 0644] blob
source/unres/src_Eshel/checkder_p.F [new file with mode: 0644] blob
source/unres/src_Eshel/compinfo.c [new file with mode: 0644] blob
source/unres/src_Eshel/contact.f [new file with mode: 0644] blob
source/unres/src_Eshel/convert.f [new file with mode: 0644] blob
source/unres/src_Eshel/cored.f [new file with mode: 0644] blob
source/unres/src_Eshel/dihed_cons.F [new file with mode: 0644] blob
source/unres/src_Eshel/djacob.f [new file with mode: 0644] blob
source/unres/src_Eshel/econstr_local.F [new file with mode: 0644] blob
source/unres/src_Eshel/elecont.f [new file with mode: 0644] blob
source/unres/src_Eshel/energy_p_new_barrier.F [new file with mode: 0644] blob
source/unres/src_Eshel/fitsq.f [new file with mode: 0644] blob
source/unres/src_Eshel/gen_rand_conf.F [new file with mode: 0644] blob
source/unres/src_Eshel/geomout.F [new file with mode: 0644] blob
source/unres/src_Eshel/gnmr1.f [new file with mode: 0644] blob
source/unres/src_Eshel/gradient_p.F [new file with mode: 0644] blob
source/unres/src_Eshel/icant.f [new file with mode: 0644] blob
source/unres/src_Eshel/initialize_p.F [new file with mode: 0644] blob
source/unres/src_Eshel/int_to_cart.f [new file with mode: 0644] blob
source/unres/src_Eshel/intcartderiv.F [new file with mode: 0644] blob
source/unres/src_Eshel/intcor.f [new file with mode: 0644] blob
source/unres/src_Eshel/intlocal.f [new file with mode: 0644] blob
source/unres/src_Eshel/local_move.f [new file with mode: 0644] blob
source/unres/src_Eshel/map.f [new file with mode: 0644] blob
source/unres/src_Eshel/matmult.f [new file with mode: 0644] blob
source/unres/src_Eshel/minimize_p.F [new file with mode: 0644] blob
source/unres/src_Eshel/misc.f [new file with mode: 0644] blob
source/unres/src_Eshel/openunits.F [new file with mode: 0644] blob
source/unres/src_Eshel/parmread.F [new file with mode: 0644] blob
source/unres/src_Eshel/pinorm.f [new file with mode: 0644] blob
source/unres/src_Eshel/printmat.f [new file with mode: 0644] blob
source/unres/src_Eshel/prng.f [new file with mode: 0644] blob
source/unres/src_Eshel/proc_proc.c [new file with mode: 0644] blob
source/unres/src_Eshel/randgens.f [new file with mode: 0644] blob
source/unres/src_Eshel/readpdb.F [new file with mode: 0644] blob
source/unres/src_Eshel/readrtns.F [new file with mode: 0644] blob
source/unres/src_Eshel/refsys.f [new file with mode: 0644] blob
source/unres/src_Eshel/regularize.F [new file with mode: 0644] blob
source/unres/src_Eshel/rescode.f [new file with mode: 0644] blob
source/unres/src_Eshel/rmdd.f [new file with mode: 0644] blob
source/unres/src_Eshel/rmsd.F [new file with mode: 0644] blob
source/unres/src_Eshel/sc_move.F [new file with mode: 0644] blob
source/unres/src_Eshel/sizes.i [new file with mode: 0644] blob
source/unres/src_Eshel/sumsld.f [new file with mode: 0644] blob
source/unres/src_Eshel/timing.F [new file with mode: 0644] blob
source/unres/src_Eshel/unres.F [new file with mode: 0644] blob
source/unres/src_Eshel/xdrf [new symlink] blob
source/unres/src_MD-M/CMakeCache.txt [new file with mode: 0644] blob
source/unres/src_MD-M/CMakeFiles/CMakeCCompiler.cmake [new file with mode: 0644] blob
source/unres/src_MD-M/CMakeFiles/CMakeCXXCompiler.cmake [new file with mode: 0644] blob
source/unres/src_MD-M/CMakeFiles/CMakeDetermineCompilerABI_C.bin [new file with mode: 0755] blob
source/unres/src_MD-M/CMakeFiles/CMakeDetermineCompilerABI_CXX.bin [new file with mode: 0755] blob
source/unres/src_MD-M/CMakeFiles/CMakeDetermineCompilerABI_Fortran.bin [new file with mode: 0755] blob
source/unres/src_MD-M/CMakeFiles/CMakeFortranCompiler.cmake [new file with mode: 0644] blob
source/unres/src_MD-M/CMakeFiles/CMakeOutput.log [new file with mode: 0644] blob
source/unres/src_MD-M/CMakeFiles/CMakeSystem.cmake [new file with mode: 0644] blob
source/unres/src_MD-M/CMakeFiles/CompilerIdC/CMakeCCompilerId.c [new file with mode: 0644] blob
source/unres/src_MD-M/CMakeFiles/CompilerIdC/a.out [new file with mode: 0755] blob
source/unres/src_MD-M/CMakeFiles/CompilerIdCXX/CMakeCXXCompilerId.cpp [new file with mode: 0644] blob
source/unres/src_MD-M/CMakeFiles/CompilerIdCXX/a.out [new file with mode: 0755] blob
source/unres/src_MD-M/CMakeFiles/CompilerIdFortran/CMakeFortranCompilerId.F [new file with mode: 0644] blob
source/unres/src_MD-M/CMakeFiles/CompilerIdFortran/a.out [new file with mode: 0755] blob
source/unres/src_MD-M/CMakeFiles/cmake.check_cache [new file with mode: 0644] blob
source/unres/src_MD-M/energy_p_new_barrier.F.orig [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/CMakeLists.txt [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.BOUNDS [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.CACHE [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.CALC [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.CHAIN [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.CONTACTS [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.CONTACTS.moment [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.CONTROL [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.DBASE [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.DERIV [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.DISTFIT [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.EMP [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.FFIELD [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.GEO [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.HAIRPIN [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.HEADER [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.INFO [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.INTERACT [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.IOUNITS [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.LANGEVIN [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.LANGEVIN.lang0 [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.LOCAL [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.LOCMOVE [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.MAP [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.MAXGRAD [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.MCE [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.MCM [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.MD [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.MINIM [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.MUCA [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.NAMES [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.REMD [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.SBRIDGE [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.SCCOR [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.SCROT [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.SETUP [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.SPLITELE [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.THREAD [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.TIME1 [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.TORCNSTR [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.TORSION [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.VAR [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/COMMON.VECTORS [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/DIMENSIONS [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/DIMENSIONS.2100 [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/DIMENSIONS.4100 [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/MD_A-MTS.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/MP.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/MREMD.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/Makefile [new symlink] blob
source/unres/src_MD-NEWSC/Makefile-intrepid-with-tau [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/Makefile.tau-mpi-f77-pdt [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/Makefile_MPICH_ifort [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/Makefile_MPICH_ifort_09_05_2013 [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/Makefile_aix_xlf [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/Makefile_bigben [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/Makefile_bigben-oldparm [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/Makefile_bigben-tau [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/Makefile_galera [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/Makefile_gitdefault [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/Makefile_intrepid [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/Makefile_single_gfortran [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/Makefile_single_ifort [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/README [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/add.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/arcos.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/banach.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/blas.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/bond_move.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/build.txt [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/cartder.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/cartprint.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/chainbuild.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/change.awk [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/check_bond.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/check_sc_distr.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/checkder_p.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/compare_s1.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/compinfo.c [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/contact.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/convert.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/cored.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/dihed_cons.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/djacob.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/econstr_local.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/eigen.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/elecont.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/energy_p_new-sep_barrier.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/energy_p_new_barrier.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/energy_p_new_barrier_v3ok1.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/energy_split-sep.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/entmcm.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/fitsq.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/gauss.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/gen_rand_conf.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/geomout.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/gnmr1.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/gradient_p.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/initialize_p.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/int_to_cart.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/intcartderiv.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/intcor.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/intlocal.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/kinetic_lesyng.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/lagrangian_lesyng.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/local_move.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/map.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/matmult.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/mc.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/mcm.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/minim_mcmf.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/minimize_p.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/misc.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/moments.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/muca_md.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/parmread.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/parmread_v3ok1.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/pinorm.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/printmat.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/prng.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/prng_32.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/proc_proc.c [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/q_measure.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/q_measure1.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/q_measure3.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/randgens.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/rattle.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/readpdb.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/readrtns.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/refsys.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/regularize.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/rescode.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/rmdd.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/rmsd.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/sc_move.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/sizes.i [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/sort.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/ssMD.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/stochfric.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/sumsld.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/surfatom.f [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/test.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/thread.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/timing.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/unres.F [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/xdrf/CMakeLists.txt [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/xdrf/Makefile [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/xdrf/Makefile_jubl [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/xdrf/Makefile_linux [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/xdrf/RS6K.m4 [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/xdrf/ftocstr.c [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/xdrf/libxdrf.m4 [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/xdrf/types.h [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/xdrf/underscore.m4 [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/xdrf/xdr.c [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/xdrf/xdr.h [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/xdrf/xdr_array.c [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/xdrf/xdr_float.c [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/xdrf/xdr_stdio.c [new file with mode: 0644] blob
source/unres/src_MD-NEWSC/xdrf/xdrf.h [new file with mode: 0644] blob
source/unres/src_MD/Makefile~HEAD [new symlink] blob
source/unres/src_MD/readrtns.F.orig [new file with mode: 0644] blob
source/wham/src/DIMENSIONS.FREE.orig [new file with mode: 0644] blob
source/wham/src/DIMENSIONS.orig [new file with mode: 0644] blob
source/wham/src/cxread.F.orig [new file with mode: 0644] blob
source/wham/src/readrtns.F.orig [new file with mode: 0644] blob
UNRESPACK 3.x