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(parent: 989b557) | patch
WHAM and CLUSTER with HM restraints by AL and FP
authorFelipe Pineda <pideca@hotmail.com>
Thu, 16 Apr 2015 07:46:48 +0000 (09:46 +0200)
committerFelipe Pineda <pideca@hotmail.com>
Thu, 16 Apr 2015 07:46:48 +0000 (09:46 +0200)
commit357148eb01c1ea7e5cfd362d34f1e1ab61c8f2a8
treecbb030c754ff6841cbb95a7f66c6476807dad92etree | snapshot
parent989b55752ffaadfa073c68b17130a1755d304d6bcommit | diff
WHAM and CLUSTER with HM restraints by AL and FP
76 files changed:
source/cluster/wham/src/CMakeLists.txt diff | blob | history
source/cluster/wham/src/COMMON.CHAIN diff | blob | history
source/cluster/wham/src/COMMON.CONTROL diff | blob | history
source/cluster/wham/src/COMMON.DERIV diff | blob | history
source/cluster/wham/src/COMMON.DFA [new file with mode: 0644] blob
source/cluster/wham/src/COMMON.FFIELD diff | blob | history
source/cluster/wham/src/COMMON.HOMRESTR [new file with mode: 0644] blob
source/cluster/wham/src/COMMON.SETUP [new file with mode: 0644] blob
source/cluster/wham/src/COMMON.VAR diff | blob | history
source/cluster/wham/src/DIMENSIONS diff | blob | history
source/cluster/wham/src/Makefile-MPI [new file with mode: 0644] blob
source/cluster/wham/src/Makefile-MPI-INTEL-old [new file with mode: 0644] blob
source/cluster/wham/src/Makefile-MPI-opteron [new file with mode: 0644] blob
source/cluster/wham/src/Makefile-MPI-opteron-old [new file with mode: 0644] blob
source/cluster/wham/src/Makefile-MPI-w-opteron [new file with mode: 0644] blob
source/cluster/wham/src/Makefile-MPICH-gfortran [deleted file] blob | history
source/cluster/wham/src/Makefile-MPICH-ifort diff | blob | history
source/cluster/wham/src/dfa.F [new file with mode: 0644] blob
source/cluster/wham/src/energy_p_new.F diff | blob | history
source/cluster/wham/src/include_unres/COMMON.DERIV diff | blob | history
source/cluster/wham/src/include_unres/COMMON.FFIELD diff | blob | history
source/cluster/wham/src/include_unres/COMMON.FRAG diff | blob | history
source/cluster/wham/src/include_unres/COMMON.MD [deleted file] blob | history
source/cluster/wham/src/include_unres/COMMON.SETUP [deleted file] blob | history
source/cluster/wham/src/initialize_p.F diff | blob | history
source/cluster/wham/src/int_from_cart1.F [new file with mode: 0644] blob
source/cluster/wham/src/int_from_cart1.f [deleted file] blob | history
source/cluster/wham/src/main_clust.F diff | blob | history
source/cluster/wham/src/probabl.F diff | blob | history
source/cluster/wham/src/read_coords.F diff | blob | history
source/cluster/wham/src/readpdb.F [new file with mode: 0644] blob
source/cluster/wham/src/readpdb.f [deleted file] blob | history
source/cluster/wham/src/readrtns.F diff | blob | history
source/cluster/wham/src/sizesclu.dat diff | blob | history
source/unres/src_MD/cinfo.f diff | blob | history
source/unres/src_MD/energy_p_new_barrier.F diff | blob | history
source/unres/src_MD/initialize_p.F diff | blob | history
source/wham/src/CMakeLists.txt diff | blob | history
source/wham/src/COMMON.CHAIN diff | blob | history
source/wham/src/COMMON.CONTROL diff | blob | history
source/wham/src/COMMON.DFA [new file with mode: 0644] blob
source/wham/src/COMMON.DISTFIT [new file with mode: 0644] blob
source/wham/src/COMMON.HOMRESTR [new file with mode: 0644] blob
source/wham/src/COMMON.VAR diff | blob | history
source/wham/src/DIMENSIONS diff | blob | history
source/wham/src/DIMENSIONS.ZSCOPT diff | blob | history
source/wham/src/Makefile-pgi [new file with mode: 0644] blob
source/wham/src/Makefile1_jump [new file with mode: 0644] blob
source/wham/src/Makefile_0 [new file with mode: 0644] blob
source/wham/src/Makefile_MPICH_ifort diff | blob | history
source/wham/src/Makefile_MPICH_pgi [deleted file] blob | history
source/wham/src/Makefile_jubl [new file with mode: 0644] blob
source/wham/src/Makefile_jump [new file with mode: 0644] blob
source/wham/src/Makefile_matrix [new file with mode: 0644] blob
source/wham/src/Makefile_matrix_PGI [new file with mode: 0644] blob
source/wham/src/Makefile_matrix_PGI-SCT-oldparm [new file with mode: 0644] blob
source/wham/src/Makefile_matrix_PGI-SCTF-oldparm [new file with mode: 0644] blob
source/wham/src/Makefile_matrix_PGI-oldparm [new file with mode: 0644] blob
source/wham/src/chainbuild.f [deleted file] blob | history
source/wham/src/dfa.F [new file with mode: 0644] blob
source/wham/src/enecalc1.F diff | blob | history
source/wham/src/energy_p_new.F diff | blob | history
source/wham/src/include_unres/COMMON.DERIV diff | blob | history
source/wham/src/include_unres/COMMON.FFIELD diff | blob | history
source/wham/src/include_unres/COMMON.SCCOR diff | blob | history
source/wham/src/include_unres/COMMON.VAR [deleted file] blob | history
source/wham/src/initialize_p.F diff | blob | history
source/wham/src/make_ensemble1.F diff | blob | history
source/wham/src/molread_zs.F diff | blob | history
source/wham/src/parmread.F diff | blob | history
source/wham/src/promienie.f diff | blob | history
source/wham/src/readpdb.F [new file with mode: 0644] blob
source/wham/src/readpdb.f [deleted file] blob | history
source/wham/src/readrtns.F diff | blob | history
source/wham/src/wham_calc1.F diff | blob | history
source/wham/src/xdrf [deleted symlink] blob | history
UNRESPACK 3.x