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(parent: 3f7e5e3) | patch
Fixed the addition of dummy chain ends to structures read from UNRES PDB files
authorAdam Liwo <jal47@matrix.chem.cornell.edu>
Sun, 17 Feb 2013 03:34:55 +0000 (22:34 -0500)
committerAdam Liwo <jal47@matrix.chem.cornell.edu>
Sun, 17 Feb 2013 04:04:41 +0000 (23:04 -0500)
commitb1456f6ecfd4be96ffb754c7442ec687bf3a7c88
treea4d34959a8f63ee2c00895fa7f76a46c2b25a7dftree | snapshot
parent3f7e5e357cc2674e87508583745d9df5f1419e0dcommit | diff
Fixed the addition of dummy chain ends to structures read from UNRES PDB files
Fixed the bug in arcos.f (returned alpha=0 for cos(alpha)<=-1)

Conflicts:

bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
source/unres/src_MD-M/Makefile
25 files changed:
source/unres/src_CSA/Makefile_GAB [new file with mode: 0644] blob
source/unres/src_CSA/arcos.f diff | blob | history
source/unres/src_CSA/readpdb.F diff | blob | history
source/unres/src_CSA/refsys.f [new file with mode: 0644] blob
source/unres/src_CSA_DiL/arcos.f diff | blob | history
source/unres/src_CSA_DiL/readpdb.F diff | blob | history
source/unres/src_MD-M/COMMON.REFSYS [deleted file] blob | history
source/unres/src_MD-M/Makefile diff | blob | history
source/unres/src_MD-M/arcos.f diff | blob | history
source/unres/src_MD-M/bond_move.f diff | blob | history
source/unres/src_MD-M/readpdb.F diff | blob | history
source/unres/src_MD-M/refsys.f diff | blob | history
source/unres/src_MD/COMMON.REFSYS [deleted file] blob | history
source/unres/src_MD/arcos.f diff | blob | history
source/unres/src_MD/bond_move.f diff | blob | history
source/unres/src_MD/readpdb.F diff | blob | history
source/unres/src_MD/refsys.f diff | blob | history
source/unres/src_MIN/Makefile [new symlink] blob
source/unres/src_MIN/Makefile_ifort_single diff | blob | history
source/unres/src_MIN/arcos.f diff | blob | history
source/unres/src_MIN/readpdb.F diff | blob | history
source/unres/src_MIN/refsys.f [new file with mode: 0644] blob
source/wham/src/enecalc1.F diff | blob | history
source/wham/src/molread_zs.F diff | blob | history
source/wham/src/readrtns.F diff | blob | history
UNRESPACK 3.x