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pierwsza proba merga devela do adasko
[unres.git]
/
source
/
2013-11-05
Adam Sieradzan
pierwsza proba merga devela do adasko
tree
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commitdiff
2013-11-05
Adam Sieradzan
Dostosowanie w src whama i clustra
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commitdiff
2013-08-31
Adam Kazimierz Sie...
1)Clean-up 2)making similar src_MD and its multichain...
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commitdiff
2013-08-31
Adam Kazimierz Sie...
Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres...
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commitdiff
2013-08-31
Adam Kazimierz Sie...
Clean-up in parmread for src-MD and src-MD-M
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commitdiff
2013-07-25
Dawid Jagiela
test name changed for unres MD DFA version
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commitdiff
2013-07-25
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
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commitdiff
2013-07-25
Dawid Jagiela
fixed WHAM for gfortran: src/energy_p_new.F
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commitdiff
2013-07-16
Adam Sieradzan
NIE PEWNE ZMIANY ZWERYFIKUJ!!
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commitdiff
2013-06-28
Adam Kazimierz Sie...
Just few comments added to WHAM to clarify
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commitdiff
2013-06-28
Adam Kazimierz Sie...
Bugfix for SS wham and introduction SS to cluster analysis
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commitdiff
2013-06-25
Adam Kazimierz Sie...
Dodanie dynamic disulfide to WHAM
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commitdiff
2013-05-07
Cezary Czaplewski
some corrections in xdrf2pdb-m for dyn_ss
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commitdiff
2013-04-30
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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commitdiff
2013-04-30
Cezary Czaplewski
testing ssbond in cx
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commitdiff
2013-04-15
Dawid Jagiela
changed SCCORPAR to shelly potentials in GAB & 12LY...
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commitdiff
2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
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commitdiff
2013-04-11
Dawid Jagiela
added REMD/MREMD input generation in UNRESInpGen.py
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commitdiff
2013-04-08
Cezary Czaplewski
correct writing of dyn_ss for cx and x
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commitdiff
2013-03-07
Dawid Jagiela
added OVERLAP and NOSEARCHSC options in UNRESInpGen.py
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commitdiff
2013-03-06
Dawid Jagiela
Added minimazation support to UNRESInpGen.py
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commitdiff
2013-03-05
Dawid Jagiela
added glicyne support in show_UNRES.py
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commitdiff
2013-02-28
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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commitdiff
2013-02-28
Dawid Jagiela
fixed ray-tracing bug and size of ellipoids in show_UNR...
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commitdiff
2013-02-19
Cezary Czaplewski
cleaning of gfortran warnings in src_MD_DFA
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commitdiff
2013-02-19
Cezary Czaplewski
cleaning of gfortran warnings
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commitdiff
2013-02-19
Cezary Czaplewski
copy DFA cleaning of types from CSA to MD
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commitdiff
2013-02-19
Cezary Czaplewski
repairs error in merge
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commitdiff
2013-02-19
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2013-02-19
Cezary Czaplewski
dyn_ss and other finegrain printout cleaning
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commitdiff
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization...
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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
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commitdiff
2013-02-18
Adam Liwo
Added refsys.f to src_CSA_DiL
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commitdiff
2013-02-18
Adam Liwo
Added refsys,f
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commitdiff
2013-02-18
Adam Liwo
refsys deleted from readpdb.F in srd_CSA_DiL
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commitdiff
2013-02-18
Adam Liwo
refsys separated from readpdb in src_CDA_DiL
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commitdiff
2013-02-18
Adam Liwo
Added refsysy to Cmakelists
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commitdiff
2013-02-18
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
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commitdiff
2013-02-18
Cezary Czaplewski
compilation only
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commitdiff
2013-02-17
Adam Liwo
Fixed addition of dummy residues for input UNRES pdb...
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commitdiff
2013-02-17
Adam Liwo
added files deleted by merge with devel
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commitdiff
2013-02-17
Adam Liwo
Fixed the addition of dummy chain ends to structures...
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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
Fixed the addition of dummy chain ends to structures...
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commitdiff
2013-02-17
Cezary Czaplewski
dyn_ss writing pdb and ihpb cleaning
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commitdiff
2013-02-16
Cezary Czaplewski
more type cleaning in DFA
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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
no type declaration in common
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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
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
rename common sccorin src_CSA
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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
prng and not prng_32 for gfortran
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commitdiff
2013-02-16
Cezary Czaplewski
prng and not prng_32 for f95
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commitdiff
2013-02-16
Cezary Czaplewski
new SCCORPAR for ctest
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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
small changes to compile in gfortran
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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
adding ename to statout with PRINT_COMPON
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commitdiff
2013-02-15
Cezary Czaplewski
MULTCONF is working now
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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
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commitdiff
2013-02-15
Cezary Czaplewski
dynamic SS from old Maurizio's code
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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
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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
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
2013-01-10
Dawid Jagiela
fixed missing closing bracket
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commitdiff
2013-01-10
Dawid Jagiela
WHAM -DISNAN fix
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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
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commitdiff
2012-12-19
Dawid Jagiela
poprawki w COMMONAch
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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...
tree
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commitdiff
2012-12-12
Andrei Niadzvedtski
debug ON w MD
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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
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commitdiff
2012-12-10
Adam Sieradzan
zmiana w COMMONIE
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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
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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
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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
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commitdiff
2012-12-03
Andrei Niadzvedtski
Zmiany w COMMONach
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commitdiff
2012-12-03
Adam Kazimierz Sie...
poprawka w liczbie ntyp
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commitdiff
2012-12-03
Andrei Niadzvedtski
Zmiana w wham-m dla pola Yi
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commitdiff
2012-12-03
Adam Kazimierz Sie...
Zmiany do WHAM-M dla pola Yi
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commitdiff
2012-11-30
Adam Sieradzan
zmiana w symetry (bugfix)
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commitdiff
2012-11-26
Adam Kazimierz Sie...
Usuniecie diagnostyki w dzialajacym polu yi src_MD-M
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in local_move.f, energy_p_new.F & initia...
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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...
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commitdiff
2012-11-23
Dawid Jagiela
fixed typos in initialize_p.F
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commitdiff
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