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removed obsolite code in ssMD.F files
[unres.git]
/
source
/
wham
/
2015-05-25
Adam Sieradzan
hidden part of debug
tree
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commitdiff
2015-05-25
Adam Sieradzan
nss*ebr removed
tree
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commitdiff
2015-05-25
Adam Sieradzan
cxread debug 7
tree
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commitdiff
2015-05-25
Adam Sieradzan
debug part 6
tree
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commitdiff
2015-05-25
Adam Sieradzan
Debug 5
tree
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commitdiff
2015-05-25
Adam Sieradzan
another DEBUG
tree
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commitdiff
2015-05-25
Adam Sieradzan
dubug dss part 3
tree
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commitdiff
2015-05-25
Adam Sieradzan
diffrent name for evdw
tree
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commitdiff
2015-05-25
Adam Sieradzan
TRISS debug
tree
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commitdiff
2015-05-25
Adam Sieradzan
Warnig Debug ON
tree
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commitdiff
2015-05-24
Adam Sieradzan
Corrected WHAM and UNRES reading in SS dyn...
tree
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commitdiff
2015-05-23
Adam Sieradzan
Introduction of working dyn_ss and triss. Problems...
tree
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commitdiff
2015-05-23
Adam Sieradzan
Correction in readrtns
tree
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commitdiff
2015-05-23
Adam Sieradzan
Change in line of dyn_ss
tree
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commitdiff
2015-05-22
Adam Sieradzan
Adding dyn_ss and triss potentials to src-M wham
tree
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commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
tree
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commitdiff
2015-04-21
Pawel Krupa
MPICH2 and energy fixes in WHAM-M and Cluster-M.
tree
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commitdiff
2015-04-17
Pawel Krupa
Fixed error caused by new MPICH2, which made WHAM-M...
tree
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commitdiff
2015-04-16
Pawel Krupa
Fixed energy differs in WHAM-M (EBE).
tree
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commitdiff
2015-04-05
Dawid Jagiela
added Force-Fields descriptions in exe filenames
tree
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commitdiff
2014-11-05
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
tree
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commitdiff
2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
tree
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commitdiff
2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
tree
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commitdiff
2014-10-08
Cezary Czaplewski
correct default option for compilers in wham CmakeList.txt
tree
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commitdiff
2014-04-10
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2014-04-10
Adam Liwo
Added source/wham/src-NEWSC-NEWCORR/
tree
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commitdiff
2014-04-10
Adam Liwo
Added src_MD-M-newcorr (Adasko's source) and src-NEWSC...
tree
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commitdiff
2014-04-01
Adam Liwo
Added src_Eshel (decoy processing for threading)
tree
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commitdiff
2013-11-06
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2013-11-06
Dawid Jagiela
junk files cleanup
tree
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commitdiff
2013-11-05
Adam Sieradzan
Bugfix for smaller size of memory
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 11
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 10
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 9
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 8
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 7
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 2
tree
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commitdiff
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
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
zmiany w prereleasie drobne
tree
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commitdiff
2013-08-12
Adam Sieradzan
changes for DIMENSION for smaller size MEMory
tree
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commitdiff
2013-08-08
Adam Sieradzan
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-08-07
Cezary Czaplewski
decrease of Max_Parm to 32 necessary for 4GB machine
tree
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commitdiff
2013-08-07
Adam Sieradzan
merge...
tree
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commitdiff
2013-08-07
Adam Sieradzan
usuniecie diagnostyki
tree
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commitdiff
2013-07-25
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2013-07-25
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2013-07-25
Dawid Jagiela
fixed WHAM for gfortran: src/energy_p_new.F
tree
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commitdiff
2013-07-25
Dawid Jagiela
fixed WHAM for gfortran: src/energy_p_new.F
tree
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commitdiff
2013-06-28
Adam Kazimierz Sie...
Just few comments added to WHAM to clarify
tree
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commitdiff
2013-06-28
Adam Kazimierz Sie...
Just few comments added to WHAM to clarify
tree
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commitdiff
2013-06-28
Adam Kazimierz Sie...
Bugfix for SS wham and introduction SS to cluster analysis
tree
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commitdiff
2013-06-28
Adam Kazimierz Sie...
Bugfix for SS wham and introduction SS to cluster analysis
tree
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commitdiff
2013-06-25
Adam Kazimierz Sie...
Dodanie dynamic disulfide to WHAM
tree
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commitdiff
2013-06-25
Adam Kazimierz Sie...
Dodanie dynamic disulfide to WHAM
tree
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commitdiff
2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
tree
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commitdiff
2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
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
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
2013-02-16
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
2013-01-10
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
2012-12-18
Adam Sieradzan
Usuniecie diagnostyki
tree
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commitdiff
2012-12-10
Adam Sieradzan
zmiana w COMMONIE
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 Sieradzan
bugfix przekroczenia granic
tree
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commitdiff
2012-12-05
Adam Sieradzan
zmaina w xdrf
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
2012-11-23
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
Dawid Jagiela
force legacy standard for gfortran
tree
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commitdiff
2012-11-23
Dawid Jagiela
force legacy standard for gfortran
tree
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commitdiff
2012-11-07
Dawid Jagiela
force legacy standard for gfortran
tree
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commitdiff
2012-11-07
Dawid Jagiela
force legacy standard for gfortran
tree
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commitdiff
2012-10-31
Dawid Jagiela
CMake makro cinfo.f fix
tree
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commitdiff
2012-10-31
Dawid Jagiela
CMake makro cinfo.f fix
tree
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commitdiff
2012-10-30
Adam Kazimierz Sie...
pseudosymetria D-aminokwasow dla potencjalow SCCOR
tree
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commitdiff
2012-10-30
Adam Kazimierz Sie...
Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy...
tree
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commitdiff
2012-10-29
Adam Kazimierz Sie...
Wprowadzenie SCCOR dla wham-M
tree
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commitdiff
2012-10-26
Adam Kazimierz Sie...
liczenie tauangle
tree
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commitdiff
2012-10-26
Adam Kazimierz Sie...
Rozgrzebany SCCOR dla wham-M
tree
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commitdiff
2012-09-20
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-09-20
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-09-20
Adam Liwo
Update
tree
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commitdiff
2012-09-20
Adam Liwo
Update
tree
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commitdiff
2012-08-31
Adam Kazimierz Sie...
Zmina 21 na ntyp1 w wham src i src-M
tree
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commitdiff
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