Commit new changes 10/26/14
authorAdam Liwo <jal47@matrix.chem.cornell.edu>
Sun, 26 Oct 2014 20:01:04 +0000 (16:01 -0400)
committerAdam Liwo <jal47@matrix.chem.cornell.edu>
Sun, 26 Oct 2014 20:01:04 +0000 (16:01 -0400)
commit5e2358117d5efe154a9c192de01e50c1f84f6a43
treea8d8db38427edb418af0bd2d848f1cabe487a8f0
parenta09fdb5f3686a0c1242c8dd3b6dfadf0d3678aaf
Commit new changes 10/26/14
161 files changed:
PARAM/sccor_am1_pawel.dat
bin/unres/MD/unres_Tc_procor_oldparm_em64-D-symetr.exe
bin/unres/MD/unres_gfortran_single_decoy_E0LL2Y.exe
bin/unres/MD/unres_ifort_single_decoy_E0LL2Y.exe [new file with mode: 0755]
bin/wham/wham_ifort_MPICH_GAB-DEBUG.exe
source/unres/src_CSA/Makefile [new symlink]
source/unres/src_Eshel/Makefile_single_gfortran
source/unres/src_Eshel/readpdb.F
source/unres/src_Eshel/readpdb.F.safe [new file with mode: 0644]
source/unres/src_MD-DFA-restraints/MREMD.F
source/unres/src_MD-M-newcorr/MREMD.F
source/unres/src_MD-M/MREMD.F
source/unres/src_MD-M/readpdb.F
source/unres/src_MD-M/readpdb.f [deleted file]
source/unres/src_MD-M/readpdb.f.safe [new file with mode: 0644]
source/unres/src_MD-NEWSC-NEWC/MREMD.F
source/unres/src_MD-NEWSC/MREMD.F
source/unres/src_MD-restraints-PM/CMakeLists.txt [deleted file]
source/unres/src_MD-restraints-PM/COMMON.BOUNDS [deleted file]
source/unres/src_MD-restraints-PM/COMMON.CACHE [deleted file]
source/unres/src_MD-restraints-PM/COMMON.CALC [deleted file]
source/unres/src_MD-restraints-PM/COMMON.CHAIN [deleted file]
source/unres/src_MD-restraints-PM/COMMON.CONTACTS [deleted file]
source/unres/src_MD-restraints-PM/COMMON.CONTACTS.moment [deleted file]
source/unres/src_MD-restraints-PM/COMMON.CONTROL [deleted file]
source/unres/src_MD-restraints-PM/COMMON.DBASE [deleted file]
source/unres/src_MD-restraints-PM/COMMON.DERIV [deleted file]
source/unres/src_MD-restraints-PM/COMMON.DISTFIT [deleted file]
source/unres/src_MD-restraints-PM/COMMON.FFIELD [deleted file]
source/unres/src_MD-restraints-PM/COMMON.GEO [deleted file]
source/unres/src_MD-restraints-PM/COMMON.HAIRPIN [deleted file]
source/unres/src_MD-restraints-PM/COMMON.HEADER [deleted file]
source/unres/src_MD-restraints-PM/COMMON.INFO [deleted file]
source/unres/src_MD-restraints-PM/COMMON.INTERACT [deleted file]
source/unres/src_MD-restraints-PM/COMMON.IOUNITS [deleted file]
source/unres/src_MD-restraints-PM/COMMON.LANGEVIN [deleted file]
source/unres/src_MD-restraints-PM/COMMON.LANGEVIN.lang0 [deleted file]
source/unres/src_MD-restraints-PM/COMMON.LOCAL [deleted file]
source/unres/src_MD-restraints-PM/COMMON.LOCMOVE [deleted file]
source/unres/src_MD-restraints-PM/COMMON.MAP [deleted file]
source/unres/src_MD-restraints-PM/COMMON.MAXGRAD [deleted file]
source/unres/src_MD-restraints-PM/COMMON.MCE [deleted file]
source/unres/src_MD-restraints-PM/COMMON.MCM [deleted file]
source/unres/src_MD-restraints-PM/COMMON.MD [deleted file]
source/unres/src_MD-restraints-PM/COMMON.MINIM [deleted file]
source/unres/src_MD-restraints-PM/COMMON.MUCA [deleted file]
source/unres/src_MD-restraints-PM/COMMON.NAMES [deleted file]
source/unres/src_MD-restraints-PM/COMMON.REMD [deleted file]
source/unres/src_MD-restraints-PM/COMMON.SBRIDGE [deleted file]
source/unres/src_MD-restraints-PM/COMMON.SCCOR [deleted file]
source/unres/src_MD-restraints-PM/COMMON.SCROT [deleted file]
source/unres/src_MD-restraints-PM/COMMON.SETUP [deleted file]
source/unres/src_MD-restraints-PM/COMMON.SPLITELE [deleted file]
source/unres/src_MD-restraints-PM/COMMON.THREAD [deleted file]
source/unres/src_MD-restraints-PM/COMMON.TIME1 [deleted file]
source/unres/src_MD-restraints-PM/COMMON.TORCNSTR [deleted file]
source/unres/src_MD-restraints-PM/COMMON.TORSION [deleted file]
source/unres/src_MD-restraints-PM/COMMON.VAR [deleted file]
source/unres/src_MD-restraints-PM/COMMON.VECTORS [deleted file]
source/unres/src_MD-restraints-PM/DIMENSIONS [deleted file]
source/unres/src_MD-restraints-PM/DIMENSIONS.2100 [deleted file]
source/unres/src_MD-restraints-PM/DIMENSIONS.4100 [deleted file]
source/unres/src_MD-restraints-PM/MD_A-MTS.F [deleted file]
source/unres/src_MD-restraints-PM/MP.F [deleted file]
source/unres/src_MD-restraints-PM/MREMD.F [deleted file]
source/unres/src_MD-restraints-PM/Makefile [deleted symlink]
source/unres/src_MD-restraints-PM/Makefile-intrepid-with-tau [deleted file]
source/unres/src_MD-restraints-PM/Makefile.tau-mpi-f77-pdt [deleted file]
source/unres/src_MD-restraints-PM/Makefile_MPICH_ifort [deleted file]
source/unres/src_MD-restraints-PM/Makefile_aix_xlf [deleted file]
source/unres/src_MD-restraints-PM/Makefile_bigben [deleted file]
source/unres/src_MD-restraints-PM/Makefile_bigben-oldparm [deleted file]
source/unres/src_MD-restraints-PM/Makefile_bigben-tau [deleted file]
source/unres/src_MD-restraints-PM/Makefile_galera [deleted file]
source/unres/src_MD-restraints-PM/Makefile_intrepid [deleted file]
source/unres/src_MD-restraints-PM/Makefile_single_gfortran [deleted file]
source/unres/src_MD-restraints-PM/Makefile_single_ifort [deleted file]
source/unres/src_MD-restraints-PM/README [deleted file]
source/unres/src_MD-restraints-PM/add.f [deleted file]
source/unres/src_MD-restraints-PM/arcos.f [deleted file]
source/unres/src_MD-restraints-PM/banach.f [deleted file]
source/unres/src_MD-restraints-PM/blas.f [deleted file]
source/unres/src_MD-restraints-PM/bond_move.f [deleted file]
source/unres/src_MD-restraints-PM/build.txt [deleted file]
source/unres/src_MD-restraints-PM/cartder.F [deleted file]
source/unres/src_MD-restraints-PM/cartprint.f [deleted file]
source/unres/src_MD-restraints-PM/chainbuild.F [deleted file]
source/unres/src_MD-restraints-PM/change.awk [deleted file]
source/unres/src_MD-restraints-PM/check_bond.f [deleted file]
source/unres/src_MD-restraints-PM/check_sc_distr.f [deleted file]
source/unres/src_MD-restraints-PM/checkder_p.F [deleted file]
source/unres/src_MD-restraints-PM/compare_s1.F [deleted file]
source/unres/src_MD-restraints-PM/compinfo.c [deleted file]
source/unres/src_MD-restraints-PM/contact.f [deleted file]
source/unres/src_MD-restraints-PM/convert.f [deleted file]
source/unres/src_MD-restraints-PM/cored.f [deleted file]
source/unres/src_MD-restraints-PM/dihed_cons.F [deleted file]
source/unres/src_MD-restraints-PM/djacob.f [deleted file]
source/unres/src_MD-restraints-PM/econstr_local.F [deleted file]
source/unres/src_MD-restraints-PM/eigen.f [deleted file]
source/unres/src_MD-restraints-PM/elecont.f [deleted file]
source/unres/src_MD-restraints-PM/energy_p_new-sep_barrier.F [deleted file]
source/unres/src_MD-restraints-PM/energy_p_new_barrier.F [deleted file]
source/unres/src_MD-restraints-PM/energy_split-sep.F [deleted file]
source/unres/src_MD-restraints-PM/entmcm.F [deleted file]
source/unres/src_MD-restraints-PM/fitsq.f [deleted file]
source/unres/src_MD-restraints-PM/gauss.f [deleted file]
source/unres/src_MD-restraints-PM/gen_rand_conf.F [deleted file]
source/unres/src_MD-restraints-PM/geomout.F [deleted file]
source/unres/src_MD-restraints-PM/gnmr1.f [deleted file]
source/unres/src_MD-restraints-PM/gradient_p.F [deleted file]
source/unres/src_MD-restraints-PM/initialize_p.F [deleted file]
source/unres/src_MD-restraints-PM/int_to_cart.f [deleted file]
source/unres/src_MD-restraints-PM/intcartderiv.F [deleted file]
source/unres/src_MD-restraints-PM/intcor.f [deleted file]
source/unres/src_MD-restraints-PM/intlocal.f [deleted file]
source/unres/src_MD-restraints-PM/kinetic_lesyng.f [deleted file]
source/unres/src_MD-restraints-PM/lagrangian_lesyng.F [deleted file]
source/unres/src_MD-restraints-PM/local_move.f [deleted file]
source/unres/src_MD-restraints-PM/map.f [deleted file]
source/unres/src_MD-restraints-PM/matmult.f [deleted file]
source/unres/src_MD-restraints-PM/mc.F [deleted file]
source/unres/src_MD-restraints-PM/mcm.F [deleted file]
source/unres/src_MD-restraints-PM/minim_mcmf.F [deleted file]
source/unres/src_MD-restraints-PM/minimize_p.F [deleted file]
source/unres/src_MD-restraints-PM/misc.f [deleted file]
source/unres/src_MD-restraints-PM/moments.f [deleted file]
source/unres/src_MD-restraints-PM/muca_md.f [deleted file]
source/unres/src_MD-restraints-PM/parmread.F [deleted file]
source/unres/src_MD-restraints-PM/pinorm.f [deleted file]
source/unres/src_MD-restraints-PM/printmat.f [deleted file]
source/unres/src_MD-restraints-PM/prng.f [deleted file]
source/unres/src_MD-restraints-PM/prng_32.F [deleted file]
source/unres/src_MD-restraints-PM/proc_proc.c [deleted file]
source/unres/src_MD-restraints-PM/q_measure.F [deleted file]
source/unres/src_MD-restraints-PM/q_measure1.F [deleted file]
source/unres/src_MD-restraints-PM/q_measure3.F [deleted file]
source/unres/src_MD-restraints-PM/randgens.f [deleted file]
source/unres/src_MD-restraints-PM/rattle.F [deleted file]
source/unres/src_MD-restraints-PM/readpdb.F [deleted file]
source/unres/src_MD-restraints-PM/readrtns.F [deleted file]
source/unres/src_MD-restraints-PM/refsys.f [deleted file]
source/unres/src_MD-restraints-PM/regularize.F [deleted file]
source/unres/src_MD-restraints-PM/rescode.f [deleted file]
source/unres/src_MD-restraints-PM/rmdd.f [deleted file]
source/unres/src_MD-restraints-PM/rmsd.F [deleted file]
source/unres/src_MD-restraints-PM/sc_move.F [deleted file]
source/unres/src_MD-restraints-PM/sizes.i [deleted file]
source/unres/src_MD-restraints-PM/sort.f [deleted file]
source/unres/src_MD-restraints-PM/ssMD.F [deleted file]
source/unres/src_MD-restraints-PM/stochfric.F [deleted file]
source/unres/src_MD-restraints-PM/sumsld.f [deleted file]
source/unres/src_MD-restraints-PM/surfatom.f [deleted file]
source/unres/src_MD-restraints-PM/test.F [deleted file]
source/unres/src_MD-restraints-PM/thread.F [deleted file]
source/unres/src_MD-restraints-PM/timing.F [deleted file]
source/unres/src_MD-restraints-PM/unres.F [deleted file]
source/unres/src_MD-restraints-PM/xdrf [deleted symlink]
source/unres/src_MD-restraints/MREMD.F
source/unres/src_MD/MREMD.F
source/unres/src_MD_DFA/MREMD.F