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restraints from contact prediction for CSA version
[unres.git]
/
source
/
2015-07-07
Cezary Czaplewski
restraints from contact prediction for CSA version
tree
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commitdiff
2015-06-05
Adam Liwo
by Adam
tree
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commitdiff
2015-05-10
Adam Liwo
Import fixed makefiles in cluster
tree
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commitdiff
2015-05-10
Adam Liwo
Fixed geomout.F
tree
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commitdiff
2015-05-10
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
tree
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commitdiff
2015-05-07
Cezary Czaplewski
adding in cmake UNRES_MD_FF = 4P for wham and cluster
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commitdiff
2015-05-07
Cezary Czaplewski
adding in cmake UNRES_MD_FF = 4P for src_MD and src_MD-M
tree
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commitdiff
2015-05-07
Cezary Czaplewski
fixed binary names for cmake (update)
tree
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commitdiff
2015-05-07
Cezary Czaplewski
fixed binary names for cmake and make
tree
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commitdiff
2015-05-07
Cezary Czaplewski
Merge branch 'prerelease-3.2.1'
tree
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commitdiff
2015-05-07
Cezary Czaplewski
Merge branch 'master' of mmka.chem.univ.gda.pl:unres
tree
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commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
tree
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commitdiff
2015-05-06
Adam Liwo
Fixed Makefiles in clust/src_MD-M
tree
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commitdiff
2015-05-06
Adam Sieradzan
correction in readpdb (bugfix)
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commitdiff
2015-05-06
Adam Sieradzan
correction in readpdb (bugfix)
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commitdiff
2015-04-08
Adam Liwo
By Adam
tree
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commitdiff
2015-03-25
Cezary Czaplewski
changes to avoid PMPI_Scatterv: Invalid buffer pointer...
tree
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commitdiff
2015-03-13
Cezary Czaplewski
changes to avoid PMPI_Scatterv: Invalid buffer pointer...
tree
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commitdiff
2015-02-25
Adam Sieradzan
Finding undefined tua...
tree
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commitdiff
2015-02-24
Adam Sieradzan
zmiany przywracajace TURN dla dummy i rozszerzajace...
tree
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commitdiff
2015-02-23
Adam Sieradzan
poprawka turn3 i turn4 uwaga moga byc wlaczone diagnostki
tree
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commitdiff
2015-02-19
Adam Sieradzan
EBE change in prerealese-3.2.1 make dummy atom idependent
tree
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commitdiff
2015-02-16
Adam Sieradzan
poprawka w src_MD
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commitdiff
2015-02-16
Adam Sieradzan
Poprawiony src_MD-M gradient
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commitdiff
2015-02-11
Adam Sieradzan
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2015-02-11
Adam Sieradzan
rozgrzebana minimalizacja
tree
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commitdiff
2015-02-11
Adam Sieradzan
intro of SCCOR into src_MIN
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commitdiff
2015-01-24
Adam Liwo
Corrected refsys.f in src_MD-M
tree
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commitdiff
2015-01-23
Adam Liwo
refsys
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commitdiff
2015-01-23
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
tree
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commitdiff
2015-01-23
Adam Liwo
Corrected refsys.f in src_MD-M
tree
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commitdiff
2015-01-22
Adam Sieradzan
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2015-01-19
Adam Sieradzan
dzialajacy wham+poprawka w funckji energi+ poprawka...
tree
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commitdiff
2015-01-08
Cezary Czaplewski
Makefiles for mpich2 and some corrections to Makefiles
tree
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commitdiff
2015-01-05
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
tree
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commitdiff
2015-01-05
Adam Liwo
Added cinfo
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commitdiff
2015-01-05
Adam Liwo
MREMD corrected; Langevin mode (bcast instead of scatte...
tree
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commitdiff
2015-01-04
Adam Sieradzan
poprawka gradientu w CSA
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commitdiff
2015-01-04
Adam Sieradzan
Naprawienie wham'a oraz wprowadzenie SCcorr do CSA
tree
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commitdiff
2014-12-30
Adam Sieradzan
wprowadzenie do multichaina SCcorr
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commitdiff
2014-12-19
Adam Sieradzan
debug w poszukiwaniu bledu w ostatniej reszcie
tree
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commitdiff
2014-12-18
Adam Kazimierz Sie...
dodanie czytania wagi wsccor do clustrowania-M
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commitdiff
2014-12-18
Adam Kazimierz Sie...
Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy...
tree
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commitdiff
2014-12-18
Adam Kazimierz Sie...
Wprowadzenie SCCOR dla wham-M
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commitdiff
2014-12-18
Adam Kazimierz Sie...
Rozgrzebany SCCOR dla wham-M
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commitdiff
2014-12-17
Adam Kazimierz Sie...
Poprawiony SCR_MD-M i dzialajacy
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commitdiff
2014-12-17
Adam Kazimierz Sie...
Wprowadznie potencjalow SC-COR do multichain oraz ich...
tree
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commitdiff
2014-12-11
Adam Liwo
Updated changelog, added minimization-only version...
tree
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commitdiff
2014-12-11
Adam Liwo
Created binaries and fixed bugs when compiling single...
tree
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commitdiff
2014-12-05
Cezary Czaplewski
new options for mpich2 with gfortran Makefile
tree
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commitdiff
2014-12-05
Cezary Czaplewski
src_CSA_DiL removed from prerelease, current version...
tree
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commitdiff
2014-11-28
Dawid Jagiela
changed FF preprocesor flags in src_CSA_DiL/CMakeLists.txt
tree
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commitdiff
2014-11-28
Dawid Jagiela
fixed FF preprocesor flags for src_CSA/CMakeLists.txt
tree
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commitdiff
2014-11-28
Dawid Jagiela
changed csa.f to csa.F in src_CSA/CMakeLists.txt sources
tree
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commitdiff
2014-11-28
Adam Liwo
Trying to bring files - continued
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commitdiff
2014-11-27
Adam Liwo
Fixed Makefiles, handle all force fields thru appropria...
tree
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commitdiff
2014-11-05
Dawid Jagiela
ctest ala10 binary location fix
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commitdiff
2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
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commitdiff
2014-10-26
Dawid Jagiela
1) Threading cleanup in src_CSA & src_CSA_DiL
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
added missing preprocessor flags for prng_32.F
tree
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commitdiff
2014-10-25
Dawid Jagiela
prng.f unification
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commitdiff
2014-10-16
Dawid Jagiela
64-bit fix for unres/CSA and unres/CSA_DiL code
tree
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commitdiff
2014-10-14
Dawid Jagieła
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2014-10-14
Dawid Jagieła
fixed CMake variable typo
tree
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commitdiff
2014-10-08
Cezary Czaplewski
correct default option for compilers in cluster CmakeLi...
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 1
tree
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commitdiff
2013-10-07
Adam Sieradzan
small correctian in wham
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commitdiff
2013-09-02
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-09-02
Cezary Czaplewski
dynamic disulfides in multichain
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
wylaczenie diagnostyki
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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
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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
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...
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...
tree
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commitdiff
2013-04-30
Cezary Czaplewski
testing ssbond in cx
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commitdiff
2013-04-08
Cezary Czaplewski
correct writing of dyn_ss for cx and x
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commitdiff
2013-02-19
Cezary Czaplewski
dyn_ss and other finegrain printout cleaning
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commitdiff
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization...
tree
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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
tree
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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
refsys deleted from readpdb.F in srd_CSA_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 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
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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
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