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correction in readpdb (bugfix)
[unres.git]
/
source
/
wham
/
src
/
2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres
tree
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commitdiff
2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres into multichain
tree
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commitdiff
2014-11-28
Adam Liwo
Trying to bring files - continued
tree
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commitdiff
2014-11-27
Adam Liwo
Fixed Makefiles, handle all force fields thru appropria...
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
2014-10-08
Cezary Czaplewski
correct default option for compilers in wham CmakeList.txt
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
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 10
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 9
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 8
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 7
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
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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
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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
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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
2013-01-10
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
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
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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
2012-10-29
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
2012-09-20
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
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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
2012-08-24
Adam Kazimierz Sie...
Dzialajaczy dla D aminokwasow whama(mono) psuedosymetri...
tree
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commitdiff
2012-08-22
Adam Kazimierz Sie...
poprawa w Pamread.F dla monochain wham
tree
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commitdiff
2012-08-20
Dawid Jagiela
1. cmake cinfo.f generation for all sources 2. deleted...
tree
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commitdiff
2012-08-20
Dawid Jagiela
1. cmake cinfo.f generation for all sources 2. deleted...
tree
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commitdiff
2012-08-07
Adam Kazimierz Sie...
Running D-aminoacid after passed tests. Still problem...
tree
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commitdiff
2012-07-31
Adam Kazimierz Sie...
poprawka clustrowania z potencjalami wsccor (zle czytan...
tree
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commitdiff
2012-07-31
Adam Kazimierz Sie...
poprawka clustrowania z potencjalami wsccor (zle czytan...
tree
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commitdiff
2012-07-19
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2012-07-19
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2012-07-19
Dawid Jagiela
cinfo.f generation and macro for unres MD
tree
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commitdiff
2012-07-19
Dawid Jagiela
cinfo.f generation and macro for unres MD
tree
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commitdiff
2012-07-18
Adam Liwo
Merge branch 'devel' into adam
tree
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commitdiff
2012-07-18
Adam Liwo
Merge branch 'devel' into adam
tree
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commitdiff
2012-07-18
Adam Liwo
cinfo
tree
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commitdiff
2012-07-18
Adam Liwo
cinfo
tree
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commitdiff
2012-07-18
Adam Kazimierz Sie...
modified Makefile
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commitdiff
2012-07-18
Adam Kazimierz Sie...
modified Makefile
tree
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commitdiff
2012-07-18
Adam Kazimierz Sie...
hotfix parmread
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commitdiff
2012-07-18
Adam Kazimierz Sie...
hotfix parmread
tree
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commitdiff
2012-07-18
Adam Liwo
Implement minor changes on branch adam
tree
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commitdiff
2012-07-18
Adam Liwo
Implement minor changes on branch adam
tree
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commitdiff
2012-07-18
Adam Kazimierz Sie...
Revert "Merge branch 'adasko' into devel"
tree
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commitdiff
2012-07-18
Adam Kazimierz Sie...
Revert "Merge branch 'adasko' into devel"
tree
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commitdiff
2012-07-17
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
tree
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commitdiff
2012-07-17
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
tree
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commitdiff
2012-07-09
Adam Kazimierz Sie...
D i L aminokwasy tuz przed testami
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commitdiff
2012-07-09
Adam Kazimierz Sie...
D i L aminokwasy tuz przed testami
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commitdiff
2012-07-06
Adam Kazimierz Sie...
proba pullowania
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commitdiff
2012-07-06
Adam Kazimierz Sie...
proba pullowania
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commitdiff
2012-07-06
Adam Kazimierz Sie...
Zabijanie robakow znalezionych przez Pawla w WHAMie
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commitdiff
2012-07-06
Adam Kazimierz Sie...
Zabijanie robakow znalezionych przez Pawla w WHAMie
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
zmiana do DiL
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commitdiff
2012-07-06
Adam Kazimierz Sie...
zmiana do DiL
tree
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commitdiff
2012-07-05
Adam Liwo
Merge branch 'adam' into devel
tree
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commitdiff
2012-07-05
Adam Liwo
Merge branch 'adam' into devel
tree
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commitdiff
2012-07-05
Adam Liwo
Minor change
tree
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commitdiff
2012-07-05
Adam Liwo
Minor change
tree
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commitdiff
2012-07-05
Adam Liwo
Merge branch 'adam' into devel
tree
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commitdiff
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