Added homology restraints modified from Pawel and Magda's code
authorAdam Liwo <jal47@matrix.chem.cornell.edu>
Sun, 4 May 2014 19:10:33 +0000 (15:10 -0400)
committerAdam Liwo <jal47@matrix.chem.cornell.edu>
Sun, 4 May 2014 19:10:33 +0000 (15:10 -0400)
commit031a0031b642936ccd8235dfa7d50c266ca0021b
tree502de4011da1bace20e343b01bf2b684d47a4c6a
parenta4213421a259e376f5d63076c1fa1f4426982d70
Added homology restraints modified from Pawel and Magda's code
734 files changed:
bin/cluster/unres_clustMD_MPICH-restr-E0LL2Y.exe [new file with mode: 0755]
bin/cluster/unres_clustMD_MPICH-restr-GAB.exe [new file with mode: 0755]
bin/unres/MD/unres_ifort_MPICH_E0LL2Y-restr.exe [new file with mode: 0755]
bin/unres/MD/unres_ifort_MPICH_E0LL2Y-restraint.exe [new file with mode: 0755]
bin/unres/MD/unres_ifort_MPICH_GAB-restr.exe [new file with mode: 0755]
bin/wham/wham_ifort_MPICH-restr_E0LL2Y.exe [new file with mode: 0755]
bin/wham/wham_ifort_MPICH-restr_GAB.exe [new file with mode: 0755]
source/cluster/wham/src-restraint-MP/CMakeLists.txt [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.CHAIN [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.CLUSTER [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.CONTACTS [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.CONTROL [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.DERIV [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.FFIELD [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.FREE [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.GEO [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.HEADER [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.INTERACT [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.IOUNITS [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.LOCAL [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.MCM [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.MINIM [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.MPI [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.NAMES [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.SCCOR [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.SCROT [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.TEMPFAC [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.THREAD [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.TIME1 [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.TORSION [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/COMMON.VAR [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/DIMENSIONS [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/DIMENSIONS.COMPAR [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/Makefile [new symlink]
source/cluster/wham/src-restraint-MP/Makefile-MPI [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/Makefile-MPI-INTEL-old [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/Makefile-MPI-opteron [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/Makefile-MPI-opteron-old [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/Makefile-MPI-w-opteron [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/Makefile-MPICH-ifort [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/arcos.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/cartprint.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/chainbuild.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/contact.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/convert.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/energy_p_new.F [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/fitsq.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/geomout.F [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/gnmr1.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/hc.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/icant.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.CALC [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.CONTACTS [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.CONTPAR [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.DERIV [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.FFIELD [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.FRAG [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.GEO [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.HEADER [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.INTERACT [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.LOCAL [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.MINIM [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.NAMES [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.SBRIDGE [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.SCCOR [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.SCROT [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.TIME1 [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.TORCNSTR [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.TORSION [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.VECTORS [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/include_unres/COMMON.WEIGHTS [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/initialize.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/initialize.f_org [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/initialize_p.F [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/int_from_cart1.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/intcor.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/main_clust.F [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/matmult.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/misc.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/noyes.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/parmread.F [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/pinorm.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/printmat.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/probabl.F [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/proc_proc.c [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/read_coords.F [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/read_ref_str.F [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/readpdb.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/readrtns.F [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/rescode.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/setup_var.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/sizesclu.dat [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/srtclust.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/ssMD.F [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/timing.F [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/track.F [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/work_partition.F [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/wrtclust.f [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/xdrf/Makefile [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/xdrf/Makefile_jubl [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/xdrf/Makefile_linux [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/xdrf/RS6K.m4 [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/xdrf/ftocstr.c [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/xdrf/libxdrf.m4 [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/xdrf/types.h [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/xdrf/underscore.m4 [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/xdrf/xdr.c [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/xdrf/xdr.h [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/xdrf/xdr_array.c [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/xdrf/xdr_float.c [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/xdrf/xdr_stdio.c [new file with mode: 0644]
source/cluster/wham/src-restraint-MP/xdrf/xdrf.h [new file with mode: 0644]
source/cluster/wham/src-restraint/CMakeLists.txt [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.CHAIN [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.CLUSTER [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.CONTACTS [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.CONTROL [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.DERIV [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.FFIELD [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.FREE [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.GEO [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.HEADER [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.INTERACT [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.IOUNITS [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.LOCAL [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.MCM [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.MINIM [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.MPI [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.NAMES [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.SCCOR [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.SCROT [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.TEMPFAC [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.THREAD [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.TIME1 [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.TORSION [new file with mode: 0644]
source/cluster/wham/src-restraint/COMMON.VAR [new file with mode: 0644]
source/cluster/wham/src-restraint/DIMENSIONS [new file with mode: 0644]
source/cluster/wham/src-restraint/DIMENSIONS.COMPAR [new file with mode: 0644]
source/cluster/wham/src-restraint/Makefile [new symlink]
source/cluster/wham/src-restraint/Makefile-MPI [new file with mode: 0644]
source/cluster/wham/src-restraint/Makefile-MPI-INTEL-old [new file with mode: 0644]
source/cluster/wham/src-restraint/Makefile-MPI-opteron [new file with mode: 0644]
source/cluster/wham/src-restraint/Makefile-MPI-opteron-old [new file with mode: 0644]
source/cluster/wham/src-restraint/Makefile-MPI-w-opteron [new file with mode: 0644]
source/cluster/wham/src-restraint/Makefile-MPICH-ifort [new file with mode: 0644]
source/cluster/wham/src-restraint/arcos.f [new file with mode: 0644]
source/cluster/wham/src-restraint/cartprint.f [new file with mode: 0644]
source/cluster/wham/src-restraint/chainbuild.f [new file with mode: 0644]
source/cluster/wham/src-restraint/contact.f [new file with mode: 0644]
source/cluster/wham/src-restraint/convert.f [new file with mode: 0644]
source/cluster/wham/src-restraint/energy_p_new.F [new file with mode: 0644]
source/cluster/wham/src-restraint/fitsq.f [new file with mode: 0644]
source/cluster/wham/src-restraint/geomout.F [new file with mode: 0644]
source/cluster/wham/src-restraint/gnmr1.f [new file with mode: 0644]
source/cluster/wham/src-restraint/hc.f [new file with mode: 0644]
source/cluster/wham/src-restraint/icant.f [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.CALC [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.CONTACTS [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.CONTPAR [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.DERIV [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.FFIELD [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.FRAG [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.GEO [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.HEADER [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.INTERACT [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.LOCAL [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.MINIM [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.NAMES [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.SBRIDGE [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.SCCOR [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.SCROT [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.TIME1 [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.TORCNSTR [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.TORSION [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.VECTORS [new file with mode: 0644]
source/cluster/wham/src-restraint/include_unres/COMMON.WEIGHTS [new file with mode: 0644]
source/cluster/wham/src-restraint/initialize.f [new file with mode: 0644]
source/cluster/wham/src-restraint/initialize.f_org [new file with mode: 0644]
source/cluster/wham/src-restraint/initialize_p.F [new file with mode: 0644]
source/cluster/wham/src-restraint/int_from_cart1.f [new file with mode: 0644]
source/cluster/wham/src-restraint/intcor.f [new file with mode: 0644]
source/cluster/wham/src-restraint/main_clust.F [new file with mode: 0644]
source/cluster/wham/src-restraint/matmult.f [new file with mode: 0644]
source/cluster/wham/src-restraint/misc.f [new file with mode: 0644]
source/cluster/wham/src-restraint/noyes.f [new file with mode: 0644]
source/cluster/wham/src-restraint/parmread.F [new file with mode: 0644]
source/cluster/wham/src-restraint/pinorm.f [new file with mode: 0644]
source/cluster/wham/src-restraint/printmat.f [new file with mode: 0644]
source/cluster/wham/src-restraint/probabl.F [new file with mode: 0644]
source/cluster/wham/src-restraint/proc_proc.c [new file with mode: 0644]
source/cluster/wham/src-restraint/read_coords.F [new file with mode: 0644]
source/cluster/wham/src-restraint/read_ref_str.F [new file with mode: 0644]
source/cluster/wham/src-restraint/readpdb.f [new file with mode: 0644]
source/cluster/wham/src-restraint/readrtns.F [new file with mode: 0644]
source/cluster/wham/src-restraint/rescode.f [new file with mode: 0644]
source/cluster/wham/src-restraint/setup_var.f [new file with mode: 0644]
source/cluster/wham/src-restraint/sizesclu.dat [new file with mode: 0644]
source/cluster/wham/src-restraint/srtclust.f [new file with mode: 0644]
source/cluster/wham/src-restraint/ssMD.F [new file with mode: 0644]
source/cluster/wham/src-restraint/timing.F [new file with mode: 0644]
source/cluster/wham/src-restraint/track.F [new file with mode: 0644]
source/cluster/wham/src-restraint/work_partition.F [new file with mode: 0644]
source/cluster/wham/src-restraint/wrtclust.f [new file with mode: 0644]
source/cluster/wham/src-restraint/xdrf/Makefile [new file with mode: 0644]
source/cluster/wham/src-restraint/xdrf/Makefile_jubl [new file with mode: 0644]
source/cluster/wham/src-restraint/xdrf/Makefile_linux [new file with mode: 0644]
source/cluster/wham/src-restraint/xdrf/RS6K.m4 [new file with mode: 0644]
source/cluster/wham/src-restraint/xdrf/ftocstr.c [new file with mode: 0644]
source/cluster/wham/src-restraint/xdrf/libxdrf.m4 [new file with mode: 0644]
source/cluster/wham/src-restraint/xdrf/types.h [new file with mode: 0644]
source/cluster/wham/src-restraint/xdrf/underscore.m4 [new file with mode: 0644]
source/cluster/wham/src-restraint/xdrf/xdr.c [new file with mode: 0644]
source/cluster/wham/src-restraint/xdrf/xdr.h [new file with mode: 0644]
source/cluster/wham/src-restraint/xdrf/xdr_array.c [new file with mode: 0644]
source/cluster/wham/src-restraint/xdrf/xdr_float.c [new file with mode: 0644]
source/cluster/wham/src-restraint/xdrf/xdr_stdio.c [new file with mode: 0644]
source/cluster/wham/src-restraint/xdrf/xdrf.h [new file with mode: 0644]
source/unres/src_MD-restraints-PM/CMakeLists.txt [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.BOUNDS [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.CACHE [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.CALC [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.CHAIN [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.CONTACTS [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.CONTACTS.moment [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.CONTROL [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.DBASE [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.DERIV [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.DISTFIT [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.FFIELD [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.GEO [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.HAIRPIN [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.HEADER [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.INFO [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.INTERACT [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.IOUNITS [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.LANGEVIN [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.LANGEVIN.lang0 [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.LOCAL [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.LOCMOVE [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.MAP [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.MAXGRAD [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.MCE [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.MCM [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.MD [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.MINIM [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.MUCA [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.NAMES [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.REMD [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.SBRIDGE [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.SCCOR [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.SCROT [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.SETUP [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.SPLITELE [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.THREAD [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.TIME1 [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.TORCNSTR [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.TORSION [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.VAR [new file with mode: 0644]
source/unres/src_MD-restraints-PM/COMMON.VECTORS [new file with mode: 0644]
source/unres/src_MD-restraints-PM/DIMENSIONS [new file with mode: 0644]
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source/wham/src-restraints-PM/chainbuild.F [new file with mode: 0644]
source/wham/src-restraints-PM/compinfo.c [new file with mode: 0644]
source/wham/src-restraints-PM/conf_compar.F [new file with mode: 0644]
source/wham/src-restraints-PM/cont_frag.f [new file with mode: 0644]
source/wham/src-restraints-PM/contact.f [new file with mode: 0644]
source/wham/src-restraints-PM/contfunc.f [new file with mode: 0644]
source/wham/src-restraints-PM/cxread.F [new file with mode: 0644]
source/wham/src-restraints-PM/cxread.F.org [new file with mode: 0644]
source/wham/src-restraints-PM/define_pairs.f [new file with mode: 0644]
source/wham/src-restraints-PM/elecont.f [new file with mode: 0644]
source/wham/src-restraints-PM/enecalc1.F [new file with mode: 0644]
source/wham/src-restraints-PM/energy_p_new.F [new file with mode: 0644]
source/wham/src-restraints-PM/energy_p_new.F.org [new file with mode: 0644]
source/wham/src-restraints-PM/fitsq.f [new file with mode: 0644]
source/wham/src-restraints-PM/geomout.F [new file with mode: 0644]
source/wham/src-restraints-PM/gnmr1.f [new file with mode: 0644]
source/wham/src-restraints-PM/icant.f [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.CALC [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.CONTACTS [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.CONTPAR [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.DERIV [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.FFIELD [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.FRAG [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.GEO [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.HEADER [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.INTERACT [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.LOCAL [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.MINIM [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.NAMES [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.SBRIDGE [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.SCCOR [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.SCROT [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.SETUP [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.TIME1 [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.TORCNSTR [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.TORSION [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.VAR [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.VECTORS [new file with mode: 0644]
source/wham/src-restraints-PM/include_unres/COMMON.WEIGHTS [new file with mode: 0644]
source/wham/src-restraints-PM/initialize_p.F [new file with mode: 0644]
source/wham/src-restraints-PM/initialize_p.F.org [new file with mode: 0644]
source/wham/src-restraints-PM/int_from_cart.f [new file with mode: 0644]
source/wham/src-restraints-PM/intcor.f [new file with mode: 0644]
source/wham/src-restraints-PM/make_ensemble1.F [new file with mode: 0644]
source/wham/src-restraints-PM/match_contact.f [new file with mode: 0644]
source/wham/src-restraints-PM/matmult.f [new file with mode: 0644]
source/wham/src-restraints-PM/misc.f [new file with mode: 0644]
source/wham/src-restraints-PM/molread_zs.F [new file with mode: 0644]
source/wham/src-restraints-PM/mygetenv.F [new file with mode: 0644]
source/wham/src-restraints-PM/mysort.f [new file with mode: 0644]
source/wham/src-restraints-PM/odlodc.f [new file with mode: 0644]
source/wham/src-restraints-PM/openunits.F [new file with mode: 0644]
source/wham/src-restraints-PM/parmread.F [new file with mode: 0644]
source/wham/src-restraints-PM/pinorm.f [new file with mode: 0644]
source/wham/src-restraints-PM/printmat.f [new file with mode: 0644]
source/wham/src-restraints-PM/proc_cont.f [new file with mode: 0644]
source/wham/src-restraints-PM/proc_proc.c [new file with mode: 0644]
source/wham/src-restraints-PM/promienie.f [new file with mode: 0644]
source/wham/src-restraints-PM/qwolynes.f [new file with mode: 0644]
source/wham/src-restraints-PM/read_ref_str.F [new file with mode: 0644]
source/wham/src-restraints-PM/readpdb.f [new file with mode: 0644]
source/wham/src-restraints-PM/readrtns.F [new file with mode: 0644]
source/wham/src-restraints-PM/readrtns.F.org [new file with mode: 0644]
source/wham/src-restraints-PM/readrtns_compar.F [new file with mode: 0644]
source/wham/src-restraints-PM/rescode.f [new file with mode: 0644]
source/wham/src-restraints-PM/rmscalc.f [new file with mode: 0644]
source/wham/src-restraints-PM/secondary.f [new file with mode: 0644]
source/wham/src-restraints-PM/setup_var.f [new file with mode: 0644]
source/wham/src-restraints-PM/slices.F [new file with mode: 0644]
source/wham/src-restraints-PM/ssMD.F [new file with mode: 0644]
source/wham/src-restraints-PM/store_parm.F [new file with mode: 0644]
source/wham/src-restraints-PM/timing.F [new file with mode: 0644]
source/wham/src-restraints-PM/wham_calc1.F [new file with mode: 0644]
source/wham/src-restraints-PM/wham_calc1.F.safe [new file with mode: 0644]
source/wham/src-restraints-PM/wham_multparm.F [new file with mode: 0644]
source/wham/src-restraints-PM/xdrf [new symlink]
source/wham/src-restraints-PM/xread.F [new file with mode: 0644]
source/wham/src-restraints/CMakeLists.txt [new file with mode: 0644]
source/wham/src-restraints/COMMON.ALLPARM [new file with mode: 0644]
source/wham/src-restraints/COMMON.CHAIN [new file with mode: 0644]
source/wham/src-restraints/COMMON.COMPAR [new file with mode: 0644]
source/wham/src-restraints/COMMON.CONTACTS1 [new file with mode: 0644]
source/wham/src-restraints/COMMON.CONTROL [new file with mode: 0644]
source/wham/src-restraints/COMMON.CONTROL.org [new file with mode: 0644]
source/wham/src-restraints/COMMON.ENEPS [new file with mode: 0644]
source/wham/src-restraints/COMMON.ENERGIES [new file with mode: 0644]
source/wham/src-restraints/COMMON.FREE [new file with mode: 0644]
source/wham/src-restraints/COMMON.IOUNITS [new file with mode: 0644]
source/wham/src-restraints/COMMON.MPI [new file with mode: 0644]
source/wham/src-restraints/COMMON.OBCINKA [new file with mode: 0644]
source/wham/src-restraints/COMMON.PEPTCONT [new file with mode: 0644]
source/wham/src-restraints/COMMON.PROT [new file with mode: 0644]
source/wham/src-restraints/COMMON.PROTFILES [new file with mode: 0644]
source/wham/src-restraints/COMMON.VAR [new file with mode: 0644]
source/wham/src-restraints/DIMENSIONS [new file with mode: 0644]
source/wham/src-restraints/DIMENSIONS.COMPAR [new file with mode: 0644]
source/wham/src-restraints/DIMENSIONS.FREE [new file with mode: 0644]
source/wham/src-restraints/DIMENSIONS.FREE.old [new file with mode: 0644]
source/wham/src-restraints/DIMENSIONS.ZSCOPT [new file with mode: 0644]
source/wham/src-restraints/Makefile [new symlink]
source/wham/src-restraints/Makefile-pgi [new file with mode: 0644]
source/wham/src-restraints/Makefile1_jump [new file with mode: 0644]
source/wham/src-restraints/Makefile_MPICH_ifort [new file with mode: 0644]
source/wham/src-restraints/Makefile_jubl [new file with mode: 0644]
source/wham/src-restraints/Makefile_jump [new file with mode: 0644]
source/wham/src-restraints/Makefile_matrix [new file with mode: 0644]
source/wham/src-restraints/Makefile_matrix_PGI [new file with mode: 0644]
source/wham/src-restraints/Makefile_matrix_PGI-SCT-oldparm [new file with mode: 0644]
source/wham/src-restraints/Makefile_matrix_PGI-SCTF-oldparm [new file with mode: 0644]
source/wham/src-restraints/Makefile_matrix_PGI-oldparm [new file with mode: 0644]
source/wham/src-restraints/a.sh [new file with mode: 0755]
source/wham/src-restraints/angnorm.f [new file with mode: 0644]
source/wham/src-restraints/arcos.f [new file with mode: 0644]
source/wham/src-restraints/bxread.F [new file with mode: 0644]
source/wham/src-restraints/cartder.f [new file with mode: 0644]
source/wham/src-restraints/cartprint.f [new file with mode: 0644]
source/wham/src-restraints/chainbuild.F [new file with mode: 0644]
source/wham/src-restraints/compinfo.c [new file with mode: 0644]
source/wham/src-restraints/conf_compar.F [new file with mode: 0644]
source/wham/src-restraints/cont_frag.f [new file with mode: 0644]
source/wham/src-restraints/contact.f [new file with mode: 0644]
source/wham/src-restraints/contfunc.f [new file with mode: 0644]
source/wham/src-restraints/cxread.F [new file with mode: 0644]
source/wham/src-restraints/cxread.F.org [new file with mode: 0644]
source/wham/src-restraints/define_pairs.f [new file with mode: 0644]
source/wham/src-restraints/elecont.f [new file with mode: 0644]
source/wham/src-restraints/enecalc1.F [new file with mode: 0644]
source/wham/src-restraints/energy_p_new.F [new file with mode: 0644]
source/wham/src-restraints/energy_p_new.F.org [new file with mode: 0644]
source/wham/src-restraints/fitsq.f [new file with mode: 0644]
source/wham/src-restraints/geomout.F [new file with mode: 0644]
source/wham/src-restraints/gnmr1.f [new file with mode: 0644]
source/wham/src-restraints/icant.f [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.CALC [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.CONTACTS [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.CONTPAR [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.DERIV [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.FFIELD [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.FRAG [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.GEO [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.HEADER [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.INTERACT [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.LOCAL [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.MINIM [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.NAMES [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.SBRIDGE [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.SCCOR [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.SCROT [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.SETUP [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.TIME1 [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.TORCNSTR [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.TORSION [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.VAR [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.VECTORS [new file with mode: 0644]
source/wham/src-restraints/include_unres/COMMON.WEIGHTS [new file with mode: 0644]
source/wham/src-restraints/initialize_p.F [new file with mode: 0644]
source/wham/src-restraints/initialize_p.F.org [new file with mode: 0644]
source/wham/src-restraints/int_from_cart.f [new file with mode: 0644]
source/wham/src-restraints/intcor.f [new file with mode: 0644]
source/wham/src-restraints/make_ensemble1.F [new file with mode: 0644]
source/wham/src-restraints/match_contact.f [new file with mode: 0644]
source/wham/src-restraints/matmult.f [new file with mode: 0644]
source/wham/src-restraints/misc.f [new file with mode: 0644]
source/wham/src-restraints/molread_zs.F [new file with mode: 0644]
source/wham/src-restraints/mygetenv.F [new file with mode: 0644]
source/wham/src-restraints/mysort.f [new file with mode: 0644]
source/wham/src-restraints/odlodc.f [new file with mode: 0644]
source/wham/src-restraints/openunits.F [new file with mode: 0644]
source/wham/src-restraints/parmread.F [new file with mode: 0644]
source/wham/src-restraints/pinorm.f [new file with mode: 0644]
source/wham/src-restraints/printmat.f [new file with mode: 0644]
source/wham/src-restraints/proc_cont.f [new file with mode: 0644]
source/wham/src-restraints/proc_proc.c [new file with mode: 0644]
source/wham/src-restraints/promienie.f [new file with mode: 0644]
source/wham/src-restraints/qwolynes.f [new file with mode: 0644]
source/wham/src-restraints/read_ref_str.F [new file with mode: 0644]
source/wham/src-restraints/readpdb.f [new file with mode: 0644]
source/wham/src-restraints/readrtns.F [new file with mode: 0644]
source/wham/src-restraints/readrtns.F.org [new file with mode: 0644]
source/wham/src-restraints/readrtns_compar.F [new file with mode: 0644]
source/wham/src-restraints/rescode.f [new file with mode: 0644]
source/wham/src-restraints/rmscalc.f [new file with mode: 0644]
source/wham/src-restraints/secondary.f [new file with mode: 0644]
source/wham/src-restraints/setup_var.f [new file with mode: 0644]
source/wham/src-restraints/slices.F [new file with mode: 0644]
source/wham/src-restraints/ssMD.F [new file with mode: 0644]
source/wham/src-restraints/store_parm.F [new file with mode: 0644]
source/wham/src-restraints/timing.F [new file with mode: 0644]
source/wham/src-restraints/wham_calc1.F [new file with mode: 0644]
source/wham/src-restraints/wham_calc1.F.safe [new file with mode: 0644]
source/wham/src-restraints/wham_multparm.F [new file with mode: 0644]
source/wham/src-restraints/xdrf [new symlink]
source/wham/src-restraints/xread.F [new file with mode: 0644]