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correction of xdrf2pdb
[unres.git]
/
source
/
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization...
tree
|
commitdiff
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization...
tree
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commitdiff
2013-02-18
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-02-18
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization
tree
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commitdiff
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsys.f to src_CSA_DiL
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsys.f to src_CSA_DiL
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsys,f
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsys,f
tree
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commitdiff
2013-02-18
Adam Liwo
refsys deleted from readpdb.F in srd_CSA_DiL
tree
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commitdiff
2013-02-18
Adam Liwo
refsys deleted from readpdb.F in srd_CSA_DiL
tree
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commitdiff
2013-02-18
Adam Liwo
refsys separated from readpdb in src_CDA_DiL
tree
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commitdiff
2013-02-18
Adam Liwo
refsys separated from readpdb in src_CDA_DiL
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsysy to Cmakelists
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsysy to Cmakelists
tree
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commitdiff
2013-02-18
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
tree
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commitdiff
2013-02-18
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
tree
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commitdiff
2013-02-18
Cezary Czaplewski
compilation only
tree
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commitdiff
2013-02-18
Cezary Czaplewski
compilation only
tree
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commitdiff
2013-02-17
Adam Liwo
Fixed addition of dummy residues for input UNRES pdb...
tree
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commitdiff
2013-02-17
Adam Liwo
Fixed addition of dummy residues for input UNRES pdb...
tree
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commitdiff
2013-02-17
Adam Liwo
added files deleted by merge with devel
tree
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commitdiff
2013-02-17
Adam Liwo
added files deleted by merge with devel
tree
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commitdiff
2013-02-17
Adam Liwo
Fixed the addition of dummy chain ends to structures...
tree
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commitdiff
2013-02-17
Adam Liwo
Fixed the addition of dummy chain ends to structures...
tree
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commitdiff
2013-02-17
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2013-02-17
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
|
commitdiff
2013-02-17
Adam Liwo
Fixed the addition of dummy chain ends to structures...
tree
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commitdiff
2013-02-17
Adam Liwo
Fixed the addition of dummy chain ends to structures...
tree
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commitdiff
2013-02-17
Cezary Czaplewski
dyn_ss writing pdb and ihpb cleaning
tree
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commitdiff
2013-02-17
Cezary Czaplewski
dyn_ss writing pdb and ihpb cleaning
tree
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commitdiff
2013-02-16
Cezary Czaplewski
more type cleaning in DFA
tree
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commitdiff
2013-02-16
Cezary Czaplewski
more type cleaning in DFA
tree
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commitdiff
2013-02-16
Cezary Czaplewski
type declaration in COMMON.DFA
tree
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commitdiff
2013-02-16
Cezary Czaplewski
type declaration in COMMON.DFA
tree
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commitdiff
2013-02-16
Cezary Czaplewski
no type declaration in common
tree
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commitdiff
2013-02-16
Cezary Czaplewski
no type declaration in common
tree
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commitdiff
2013-02-16
Cezary Czaplewski
no type declaration in common
tree
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commitdiff
2013-02-16
Cezary Czaplewski
no type declaration in common
tree
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commitdiff
2013-02-16
Cezary Czaplewski
common sccor rename to avoid conflict with torsion
tree
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commitdiff
2013-02-16
Cezary Czaplewski
common sccor rename to avoid conflict with torsion
tree
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commitdiff
2013-02-16
Cezary Czaplewski
classical Makefile cleaning
tree
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commitdiff
2013-02-16
Cezary Czaplewski
classical Makefile cleaning
tree
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commitdiff
2013-02-16
Cezary Czaplewski
rename common sccorin src_CSA
tree
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commitdiff
2013-02-16
Cezary Czaplewski
rename common sccorin src_CSA
tree
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commitdiff
2013-02-16
Cezary Czaplewski
src_MD-M compiles with old Makefile and common sccor...
tree
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commitdiff
2013-02-16
Cezary Czaplewski
src_MD-M compiles with old Makefile and common sccor...
tree
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commitdiff
2013-02-16
Cezary Czaplewski
common name correction
tree
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commitdiff
2013-02-16
Cezary Czaplewski
common name correction
tree
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commitdiff
2013-02-16
Cezary Czaplewski
prng and not prng_32 for gfortran
tree
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commitdiff
2013-02-16
Cezary Czaplewski
prng and not prng_32 for gfortran
tree
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commitdiff
2013-02-16
Cezary Czaplewski
prng and not prng_32 for f95
tree
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commitdiff
2013-02-16
Cezary Czaplewski
prng and not prng_32 for f95
tree
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commitdiff
2013-02-16
Cezary Czaplewski
new SCCORPAR for ctest
tree
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commitdiff
2013-02-16
Cezary Czaplewski
new SCCORPAR for ctest
tree
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commitdiff
2013-02-16
Cezary Czaplewski
common reorder to avoid padding in gfortran
tree
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commitdiff
2013-02-16
Cezary Czaplewski
common reorder to avoid padding in gfortran
tree
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commitdiff
2013-02-16
Cezary Czaplewski
small changes to compile in gfortran
tree
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commitdiff
2013-02-16
Cezary Czaplewski
small changes to compile in gfortran
tree
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commitdiff
2013-02-15
Cezary Czaplewski
dynamic disulfides are working again in md
tree
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commitdiff
2013-02-15
Cezary Czaplewski
dynamic disulfides are working again in md
tree
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commitdiff
2013-02-15
Cezary Czaplewski
adding ename to statout with PRINT_COMPON
tree
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commitdiff
2013-02-15
Cezary Czaplewski
adding ename to statout with PRINT_COMPON
tree
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commitdiff
2013-02-15
Cezary Czaplewski
MULTCONF is working now
tree
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commitdiff
2013-02-15
Cezary Czaplewski
MULTCONF is working now
tree
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commitdiff
2013-02-15
Cezary Czaplewski
error message when reading SCCOR corrected
tree
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commitdiff
2013-02-15
Cezary Czaplewski
error message when reading SCCOR corrected
tree
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commitdiff
2013-02-15
Cezary Czaplewski
ss_dyn compiles with make and with cmake
tree
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commitdiff
2013-02-15
Cezary Czaplewski
ss_dyn compiles with make and with cmake
tree
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commitdiff
2013-02-15
Cezary Czaplewski
dynamic SS from old Maurizio's code
tree
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commitdiff
2013-02-15
Cezary Czaplewski
dynamic SS from old Maurizio's code
tree
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commitdiff
2013-02-14
Cezary Czaplewski
compilation only
tree
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commitdiff
2013-02-14
Cezary Czaplewski
compilation only
tree
|
commitdiff
2013-02-10
Dawid Jagiela
added UNRES visualization plugin for PyMOL
tree
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commitdiff
2013-02-10
Dawid Jagiela
added UNRES visualization plugin for PyMOL
tree
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commitdiff
2013-02-07
Bartlomiej Zaborowski
kosmetyczne zmiany do MD_DFA
tree
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commitdiff
2013-02-07
Bartlomiej Zaborowski
kosmetyczne zmiany do MD_DFA
tree
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commitdiff
2013-02-06
Bartlomiej Zaborowski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2013-02-06
Bartlomiej Zaborowski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2013-02-06
Bartlomiej Zaborowski
Files to working MD_DFA
tree
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commitdiff
2013-02-06
Bartlomiej Zaborowski
Files to working MD_DFA
tree
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commitdiff
2013-02-06
Dawid Jagiela
added pymol/UNRESInpGen.py - generates inputs for MD
tree
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commitdiff
2013-02-06
Dawid Jagiela
added pymol/UNRESInpGen.py - generates inputs for MD
tree
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commitdiff
2013-01-10
Dawid Jagiela
fixed missing closing bracket
tree
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commitdiff
2013-01-10
Dawid Jagiela
fixed missing closing bracket
tree
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commitdiff
2013-01-10
Dawid Jagiela
WHAM -DISNAN fix
tree
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commitdiff
2013-01-10
Dawid Jagiela
WHAM -DISNAN fix
tree
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commitdiff
2013-01-10
Dawid Jagiela
added UNRES_MD_FF setting for WHAM in (wham & cluster...
tree
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commitdiff
2013-01-10
Dawid Jagiela
added UNRES_MD_FF setting for WHAM in (wham & cluster...
tree
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commitdiff
2013-01-06
Adam Sieradzan
Wprowadzenie do Clustrowania D-aminokwasow w polu Yi
tree
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commitdiff
2012-12-19
Dawid Jagiela
poprawki w COMMONAch
tree
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commitdiff
2012-12-19
Dawid Jagiela
poprawki w COMMONAch
tree
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commitdiff
2012-12-18
Adam Sieradzan
Usuniecie diagnostyki
tree
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commitdiff
2012-12-12
Adam Kazimierz Sie...
debud OFF
tree
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commitdiff
2012-12-12
Adam Kazimierz Sie...
Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-12-12
Andrei Niadzvedtski
debug ON w MD
tree
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commitdiff
2012-12-12
Adam Kazimierz Sie...
Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-12-10
Adam Sieradzan
zmiana w komonie
tree
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commitdiff
2012-12-10
Adam Sieradzan
zmiana w COMMONIE
tree
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commitdiff
next