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[unres.git]
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source
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unres
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src_MD
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2015-09-23
Adam Sieradzan
bug fix in extconf
tree
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commitdiff
2015-08-06
Adam Sieradzan
Merge branch 'devel' into AFM
tree
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commitdiff
2015-07-06
Adam Sieradzan
intoduction of quartic restrains in multichain, bugfix...
tree
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commitdiff
2015-05-26
Dawid Jagiela
removed obsolite code in ssMD.F files
tree
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commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
tree
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commitdiff
2015-04-09
Adam Sieradzan
poprawka w pametrach
tree
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commitdiff
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
2014-12-11
Adam Liwo
Created binaries and fixed bugs when compiling single...
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
2014-11-05
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2014-11-05
Dawid Jagiela
ctest ala10 binary location fix
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
2014-10-26
Dawid Jagiela
added missing preprocessor flags for prng_32.F
tree
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commitdiff
2014-10-25
Dawid Jagiela
prng.f unification
tree
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commitdiff
2014-09-11
Adam Kazimierz Sie...
poprawka w triss
tree
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commitdiff
2014-07-23
Dawid Jagiela
added "make install" support for: unres (MD, MD-M,...
tree
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commitdiff
2014-06-03
Dawid Jagieła
fix for MD tests in E0LL2Y FF
tree
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commitdiff
2014-05-08
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
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
2014-04-01
Adam Liwo
Added src_Eshel (decoy processing for threading)
tree
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commitdiff
2014-03-19
Adam Liwo
Fixed iatsc_s and iatscp_s for 1 residue (was 0 with...
tree
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commitdiff
2014-03-18
Adam Sieradzan
Devel ma zle COMMON.TORSIONAL w src_MD (single chain)
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 6
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 5
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 4
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 3
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
Debug part 1
tree
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commitdiff
2013-11-05
Adam Sieradzan
Merge branch 'adasko' into devel
tree
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commitdiff
2013-11-05
Adam Sieradzan
pierwsza proba merga devela do adasko
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commitdiff
2013-10-30
Cezary Czaplewski
Makefile for pgi 2013
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commitdiff
2013-10-30
Cezary Czaplewski
testing Makefile for pgi compiler
tree
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commitdiff
2013-09-02
Dawid Jagiela
resolved conflicts in: source/unres/src_MD/CMakeLists.txt
tree
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commitdiff
2013-09-02
Cezary Czaplewski
repair of broken merge
tree
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commitdiff
2013-09-02
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2013-09-02
Cezary Czaplewski
merging devel
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
1)Clean-up 2)making similar src_MD and its multichain...
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
Clean-up in parmread for src-MD and src-MD-M
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
wylaczenie diagnostyki
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
zmiany w prereleasie drobne
tree
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commitdiff
2013-08-23
Dawid Jagiela
Fix to use native system xdr headers
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
2013-05-07
Cezary Czaplewski
some corrections in xdrf2pdb-m for dyn_ss
tree
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commitdiff
2013-05-07
Cezary Czaplewski
some corrections in xdrf2pdb-m for dyn_ss
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
2013-04-08
Cezary Czaplewski
correct writing of dyn_ss for cx and x
tree
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commitdiff
2013-04-08
Cezary Czaplewski
correct writing of dyn_ss for cx and x
tree
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commitdiff
2013-02-19
Cezary Czaplewski
dyn_ss and other finegrain printout cleaning
tree
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commitdiff
2013-02-19
Cezary Czaplewski
dyn_ss and other finegrain printout cleaning
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
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization...
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
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization
tree
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commitdiff
2013-02-18
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
tree
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commitdiff
2013-02-18
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
tree
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commitdiff
2013-02-18
Cezary Czaplewski
compilation only
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commitdiff
2013-02-18
Cezary Czaplewski
compilation only
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
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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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...
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
Cezary Czaplewski
dyn_ss writing pdb and ihpb cleaning
tree
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commitdiff
2013-02-17
Cezary Czaplewski
dyn_ss writing pdb and ihpb cleaning
tree
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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
tree
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commitdiff
2013-02-16
Cezary Czaplewski
classical Makefile cleaning
tree
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commitdiff
2013-02-16
Cezary Czaplewski
classical Makefile cleaning
tree
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commitdiff
2013-02-16
Cezary Czaplewski
prng and not prng_32 for gfortran
tree
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commitdiff
2013-02-16
Cezary Czaplewski
prng and not prng_32 for gfortran
tree
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commitdiff
2013-02-16
Cezary Czaplewski
prng and not prng_32 for f95
tree
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commitdiff
2013-02-16
Cezary Czaplewski
prng and not prng_32 for f95
tree
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commitdiff
2013-02-16
Cezary Czaplewski
new SCCORPAR for ctest
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commitdiff
2013-02-16
Cezary Czaplewski
new SCCORPAR for ctest
tree
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commitdiff
2013-02-16
Cezary Czaplewski
common reorder to avoid padding in gfortran
tree
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commitdiff
2013-02-16
Cezary Czaplewski
common reorder to avoid padding in gfortran
tree
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commitdiff
2013-02-16
Cezary Czaplewski
small changes to compile in gfortran
tree
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commitdiff
2013-02-16
Cezary Czaplewski
small changes to compile in gfortran
tree
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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
dynamic disulfides are working again in md
tree
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commitdiff
2013-02-15
Cezary Czaplewski
adding ename to statout with PRINT_COMPON
tree
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commitdiff
2013-02-15
Cezary Czaplewski
adding ename to statout with PRINT_COMPON
tree
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commitdiff
2013-02-15
Cezary Czaplewski
MULTCONF is working now
tree
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commitdiff
2013-02-15
Cezary Czaplewski
MULTCONF is working now
tree
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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
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
ss_dyn compiles with make and with cmake
tree
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commitdiff
2013-02-15
Cezary Czaplewski
dynamic SS from old Maurizio's code
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commitdiff
2013-02-15
Cezary Czaplewski
dynamic SS from old Maurizio's code
tree
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commitdiff
2012-11-23
Adam Sieradzan
zmiany w cmake i poprawka w pramreadzie
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for MPI
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for MPI
tree
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commitdiff
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