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[unres.git]
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wham
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src-M
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2016-03-10
Pawel Krupa
Calculation of folded fractions (at given RMSD cutoff...
tree
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commitdiff
2015-10-26
Pawel Krupa
Optimization of the solution for the disulfide problem.
tree
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commitdiff
2015-10-21
Adam Sieradzan
wham debug off and bug fix for dtriss =0
tree
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commitdiff
2015-10-21
Adam Sieradzan
wham debug on
tree
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commitdiff
2015-09-03
Adam Sieradzan
bug fix in WHAM for disulfides
tree
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commitdiff
2015-08-03
Adam Sieradzan
1) debug of Lorentzian like constrains in cluster 2...
tree
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commitdiff
2015-08-02
Adam Sieradzan
first introduction of valence constrains - not working yet
tree
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commitdiff
2015-07-31
Adam Sieradzan
introduction of different ftors for each site
tree
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commitdiff
2015-07-28
Adam Sieradzan
Intoduction Lorentizan like restrains to cluster
tree
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commitdiff
2015-07-21
Adam Sieradzan
WHAM for Lorentzian like constrains fixed - DEBUG OFF
tree
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commitdiff
2015-07-20
Adam Sieradzan
debuging WHAM for constrains DEBUG ON
tree
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commitdiff
2015-07-10
Adam Sieradzan
introduction of quartic an Lonrentz constrains to WHAM
tree
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commitdiff
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
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
2013-04-12
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
2013-02-16
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...
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...
Rozgrzebany SCCOR dla wham-M
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
2012-08-20
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
2012-08-17
Adam Kazimierz Sie...
Wham po zmianach i dzialajac dla D aminokwasow i BEZ...
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
2012-05-27
Dawid Jagiela
included <stdio.h> in proc_proc.c
tree
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commitdiff
2012-05-27
Dawid Jagiela
sscanf EOF fix in source/wham/src-M/proc_proc.c
tree
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commitdiff
2012-05-27
Dawid Jagiela
closing ascii art frames in energy_p_new.F
tree
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commitdiff
2012-05-27
Dawid Jagiela
flags typo fix
tree
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commitdiff
2012-05-26
Dawid Jagiela
wham compinfo EOF fix
tree
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commitdiff
2012-05-26
Dawid Jagiela
void cast on fgets & fscanf in compinfo.c
tree
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commitdiff
2012-05-15
Dawid Jagiela
added missig wham/src-M source files to cmake build
tree
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commitdiff
2012-05-15
Dawid Jagiela
Added CMake files for building source/wham/src-M
tree
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commitdiff
2012-02-25
Dawid Jagieła
added source code
tree
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commitdiff