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dfa idfamax 15000
[unres.git]
/
source
/
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
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
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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
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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
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commitdiff
2013-02-16
Cezary Czaplewski
common sccor rename to avoid conflict with torsion
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commitdiff
2013-02-16
Cezary Czaplewski
classical Makefile cleaning
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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
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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
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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
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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
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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
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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
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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
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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
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commitdiff
2012-12-12
Adam Kazimierz Sie...
Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres...
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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
2012-12-06
Adam Kazimierz Sie...
Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-12-06
Adam Sieradzan
bugfix w whamie w parmreadzie
tree
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commitdiff
2012-12-06
Adam Kazimierz Sie...
zmiany w xdrfie
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commitdiff
2012-12-06
Adam Sieradzan
bugfix przekroczenia granic
tree
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commitdiff
2012-12-05
Adam Sieradzan
zmaina w xdrf
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commitdiff
2012-12-04
Adam Sieradzan
bugfix w contact parm
tree
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commitdiff
2012-12-03
Andrei Niadzvedtski
Zmiany w COMMONach
tree
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commitdiff
2012-12-03
Adam Kazimierz Sie...
poprawka w liczbie ntyp
tree
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commitdiff
2012-12-03
Andrei Niadzvedtski
Zmiana w wham-m dla pola Yi
tree
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commitdiff
2012-12-03
Adam Kazimierz Sie...
Zmiany do WHAM-M dla pola Yi
tree
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commitdiff
2012-11-30
Adam Sieradzan
zmiana w symetry (bugfix)
tree
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commitdiff
2012-11-26
Adam Kazimierz Sie...
Usuniecie diagnostyki w dzialajacym polu yi src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in local_move.f, energy_p_new.F & initia...
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in local_move.f, energy_p_new.F & initia...
tree
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commitdiff
2012-11-23
Adam Kazimierz Sie...
Dzialajace gradient dla src_MD-M dla pola Yi
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commitdiff
2012-11-23
Dawid Jagiela
gfortran foxes in src_CSA/energy_p_new_barrier.F, src_C...
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran foxes in src_CSA/energy_p_new_barrier.F, src_C...
tree
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commitdiff
2012-11-23
Dawid Jagiela
fixed typos in initialize_p.F
tree
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commitdiff
2012-11-23
Dawid Jagiela
fixed typos in initialize_p.F
tree
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commitdiff
2012-11-23
Adam Sieradzan
zmiany w cmake i poprawka w pramreadzie
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in src_CSA for initialize_p.F
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in src_CSA for initialize_p.F
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
fix 80 column in initialize_p.F
tree
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commitdiff
2012-11-23
Dawid Jagiela
fix 80 column in initialize_p.F
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for src_MD-M
tree
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commitdiff
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