Adam 7/30/2014
authorAdam Liwo <jal47@matrix.chem.cornell.edu>
Wed, 30 Jul 2014 14:30:28 +0000 (10:30 -0400)
committerAdam Liwo <jal47@matrix.chem.cornell.edu>
Wed, 30 Jul 2014 14:30:28 +0000 (10:30 -0400)
commita09fdb5f3686a0c1242c8dd3b6dfadf0d3678aaf
tree0afeb50ac1697a867dc43c897e87d938ca83ecad
parent5467f8060e885151d3415a9897913776c337d88a
Adam 7/30/2014
185 files changed:
bin/cluster/unres_clustMD-mult_MPICH-E0LL2Y-NEWC.exe
bin/cluster/unres_clustMD_MPICH-E0LL2Y-debug.exe [new file with mode: 0755]
bin/cluster/unres_clustMD_MPICH-GAB.exe
bin/unres/MD/unres_ifort_MPICH-restr-DFA_E0LL2Y.exe [new file with mode: 0755]
bin/unres/MD/unres_ifort_MPICH_E0LL2Y-DFA-restr.exe [new file with mode: 0755]
bin/wham/wham_ifort_MPICH-M-E0LL2Y-NEWC.exe
bin/wham/wham_ifort_MPICH-restr-DFA_E0LL2Y.exe
bin/wham/wham_ifort_MPICH_E0LL2Y-DEBUG.exe
bin/wham/wham_ifort_MPICH_MM-KN-DEBUG-scalrep.exe
source/cluster/wham/src-M-NEWCORR/COMMON.CONTROL
source/cluster/wham/src-M-NEWCORR/probabl.F
source/cluster/wham/src-M-NEWCORR/readrtns.F
source/cluster/wham/src/COMMON.SCCOR
source/cluster/wham/src/DIMENSIONS
source/cluster/wham/src/Makefile [changed from file to symlink]
source/cluster/wham/src/energy_p_new.F
source/cluster/wham/src/probabl.F
source/unres/src_MD-DFA-restraints/CMakeLists.txt [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.BOUNDS [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.CACHE [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.CALC [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.CHAIN [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.CONTACTS [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.CONTACTS.moment [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.CONTROL [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.DBASE [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.DERIV [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.DFA [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.DISTFIT [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.FFIELD [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.GEO [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.HAIRPIN [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.HEADER [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.INFO [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.INTERACT [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.IOUNITS [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.LANGEVIN [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.LANGEVIN.lang0 [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.LOCAL [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.LOCMOVE [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.MAP [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.MAXGRAD [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.MCE [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.MCM [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.MD [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.MINIM [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.MUCA [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.NAMES [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.REMD [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.SBRIDGE [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.SCCOR [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.SCROT [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.SETUP [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.SPLITELE [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.THREAD [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.TIME1 [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.TORCNSTR [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.TORSION [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.VAR [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/COMMON.VECTORS [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/DIMENSIONS [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/DIMENSIONS.2100 [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/DIMENSIONS.4100 [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/MD_A-MTS.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/MP.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/MREMD.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/Makefile [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/Makefile-intrepid-with-tau [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/Makefile.tau-mpi-f77-pdt [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/Makefile_MPICH_PGI [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/Makefile_MPICH_ifort [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/Makefile_aix_xlf [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/Makefile_bigben [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/Makefile_bigben-oldparm [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/Makefile_bigben-tau [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/Makefile_galera [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/Makefile_intrepid [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/Makefile_single_gfortran [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/Makefile_single_ifort [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/README [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/add.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/arcos.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/banach.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/blas.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/bond_move.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/build.txt [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/cartder.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/cartprint.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/chainbuild.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/change.awk [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/check_bond.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/check_sc_distr.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/checkder_p.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/compare_s1.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/compinfo.c [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/contact.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/convert.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/cored.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/dfa.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/dihed_cons.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/djacob.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/econstr_local.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/eigen.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/elecont.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/energy_p_new-sep_barrier.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/energy_p_new_barrier.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/energy_split-sep.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/entmcm.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/fitsq.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/gauss.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/gen_rand_conf.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/geomout.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/gnmr1.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/gradient_p.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/initialize_p.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/int_to_cart.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/intcartderiv.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/intcor.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/intlocal.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/kinetic_lesyng.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/lagrangian_lesyng.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/local_move.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/map.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/matmult.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/mc.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/mcm.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/minim_mcmf.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/minimize_p.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/misc.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/moments.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/muca_md.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/parmread.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/pinorm.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/printmat.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/prng.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/prng_32.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/proc_proc.c [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/q_measure.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/q_measure1.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/q_measure3.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/randgens.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/rattle.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/readpdb.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/readrtns.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/refsys.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/regularize.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/rescode.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/rmdd.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/rmsd.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/sc_move.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/sizes.i [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/sort.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/ssMD.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/stochfric.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/sumsld.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/surfatom.f [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/test.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/thread.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/timing.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/unres.F [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/xdrf/CMakeLists.txt [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/xdrf/Makefile [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/xdrf/Makefile_jubl [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/xdrf/Makefile_linux [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/xdrf/RS6K.m4 [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/xdrf/ftocstr.c [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/xdrf/libxdrf.m4 [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/xdrf/types.h [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/xdrf/underscore.m4 [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/xdrf/xdr.c [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/xdrf/xdr.h [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/xdrf/xdr_array.c [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/xdrf/xdr_float.c [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/xdrf/xdr_stdio.c [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/xdrf/xdrf.h [new file with mode: 0644]
source/unres/src_MD/Makefile~adam [new symlink]
source/wham/src-M-NEWCORR/DIMENSIONS
source/wham/src-restraints-DFA/Makefile_MPICH_ifort
source/wham/src-restraints-DFA/dfa.F
source/wham/src-restraints-DFA/enecalc1.F
source/wham/src-restraints-DFA/energy_p_new.F
source/wham/src-restraints-DFA/geomout.F
source/wham/src/Makefile_MPICH_ifort
source/wham/src/enecalc1.F
source/wham/src/energy_p_new.F