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2013-10-30
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2013-10-30
Cezary Czaplewski
testing Makefile for pgi compiler
tree
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commitdiff
2013-10-07
Adam Sieradzan
small correctian in wham
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commitdiff
2013-09-22
Dawid Jagiela
show_UNRES.py - large loops speedup by using xrange
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
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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
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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...
Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
Clean-up in parmread for src-MD and src-MD-M
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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
2013-08-23
Dawid Jagiela
Fix to use native system xdr headers
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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
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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
test name changed for unres MD DFA version
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commitdiff
2013-07-25
Dawid Jagiela
test name changed for unres MD DFA version
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
2013-07-16
Adam Sieradzan
NIE PEWNE ZMIANY ZWERYFIKUJ!!
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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
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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
2013-06-25
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
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
2013-04-30
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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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
2013-04-30
Cezary Czaplewski
testing ssbond in cx
tree
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commitdiff
2013-04-15
Dawid Jagiela
changed SCCORPAR to shelly potentials in GAB & 12LY...
tree
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commitdiff
2013-04-15
Dawid Jagiela
changed SCCORPAR to shelly potentials in GAB & 12LY...
tree
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commitdiff
2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
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commitdiff
2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
tree
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commitdiff
2013-04-11
Dawid Jagiela
added REMD/MREMD input generation in UNRESInpGen.py
tree
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commitdiff
2013-04-11
Dawid Jagiela
added REMD/MREMD input generation in UNRESInpGen.py
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
2013-03-07
Dawid Jagiela
added OVERLAP and NOSEARCHSC options in UNRESInpGen.py
tree
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commitdiff
2013-03-07
Dawid Jagiela
added OVERLAP and NOSEARCHSC options in UNRESInpGen.py
tree
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commitdiff
2013-03-06
Dawid Jagiela
Added minimazation support to UNRESInpGen.py
tree
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commitdiff
2013-03-06
Dawid Jagiela
Added minimazation support to UNRESInpGen.py
tree
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commitdiff
2013-03-05
Dawid Jagiela
added glicyne support in show_UNRES.py
tree
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commitdiff
2013-03-05
Dawid Jagiela
added glicyne support in show_UNRES.py
tree
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commitdiff
2013-02-28
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2013-02-28
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2013-02-28
Dawid Jagiela
fixed ray-tracing bug and size of ellipoids in show_UNR...
tree
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commitdiff
2013-02-28
Dawid Jagiela
fixed ray-tracing bug and size of ellipoids in show_UNR...
tree
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commitdiff
2013-02-19
Cezary Czaplewski
cleaning of gfortran warnings in src_MD_DFA
tree
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commitdiff
2013-02-19
Cezary Czaplewski
cleaning of gfortran warnings in src_MD_DFA
tree
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commitdiff
2013-02-19
Cezary Czaplewski
cleaning of gfortran warnings
tree
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commitdiff
2013-02-19
Cezary Czaplewski
cleaning of gfortran warnings
tree
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commitdiff
2013-02-19
Cezary Czaplewski
copy DFA cleaning of types from CSA to MD
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commitdiff
2013-02-19
Cezary Czaplewski
copy DFA cleaning of types from CSA to MD
tree
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commitdiff
2013-02-19
Cezary Czaplewski
repairs error in merge
tree
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commitdiff
2013-02-19
Cezary Czaplewski
repairs error in merge
tree
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commitdiff
2013-02-19
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2013-02-19
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' into devel
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
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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
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
Added refsys.f to src_CSA_DiL
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commitdiff
2013-02-18
Adam Liwo
Added refsys,f
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commitdiff
2013-02-18
Adam Liwo
Added refsys,f
tree
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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
refsys deleted from readpdb.F in srd_CSA_DiL
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commitdiff
2013-02-18
Adam Liwo
refsys separated from readpdb in src_CDA_DiL
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commitdiff
2013-02-18
Adam Liwo
refsys separated from readpdb in src_CDA_DiL
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsysy to Cmakelists
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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
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 addition of dummy residues for input UNRES pdb...
tree
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commitdiff
2013-02-17
Adam Liwo
Fixed addition of dummy residues for input UNRES pdb...
tree
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commitdiff
2013-02-17
Adam Liwo
added files deleted by merge with devel
tree
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commitdiff
2013-02-17
Adam Liwo
added files deleted by merge with devel
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
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