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cluster_wham iss(idssb(k)-nres)+nres
[unres.git]
/
source
/
unres
/
src_MD-M
/
2015-10-26
Pawel Krupa
Optimization of the solution for the disulfide problem.
tree
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commitdiff
2015-10-21
Adam Sieradzan
trial for X-Cys-Cys-X sequences
tree
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commitdiff
2015-10-21
Adam Sieradzan
wham debug off and bug fix for dtriss =0
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commitdiff
2015-09-22
Adam Sieradzan
debug in respa
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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
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commitdiff
2015-07-28
Adam Sieradzan
Intoduction Lorentizan like restrains to cluster
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commitdiff
2015-07-21
Adam Sieradzan
WHAM for Lorentzian like constrains fixed - DEBUG OFF
tree
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commitdiff
2015-07-06
Adam Sieradzan
intoduction of quartic restrains in multichain, bugfix...
tree
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commitdiff
2015-07-03
Adam Sieradzan
WeFold Lorentzian like potentials introduction
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commitdiff
2015-06-24
Dawid Jagiela
removed uninitialized ghalf from equation
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commitdiff
2015-05-26
Dawid Jagiela
removed obsolite code in ssMD.F files
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commitdiff
2015-05-25
Adam Sieradzan
TRISS debug
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commitdiff
2015-05-25
Adam Sieradzan
Warnig Debug ON
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commitdiff
2015-05-24
Adam Sieradzan
Corrected WHAM and UNRES reading in SS dyn...
tree
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commitdiff
2015-05-22
Pawel Krupa
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2015-05-22
Pawel Krupa
Fixed bug in reading trisulfide potentials (atriss...
tree
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commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
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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
Adam Sieradzan
poprawka w COMMON.SBRIDE dla triss
tree
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commitdiff
2015-04-13
Adam Sieradzan
poprawka w intcartderiv
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commitdiff
2015-04-13
Adam Sieradzan
Introduction of SS to newcorr and SSS to src_MD-M
tree
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commitdiff
2015-03-26
Pawel Krupa
MD problems fixed with FGPROC>1
tree
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commitdiff
2015-02-19
Adam Sieradzan
poprawki w ANG w src_MD-M
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commitdiff
2015-01-29
Adam Liwo
Corrected refsys.f in src_MD-M
tree
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commitdiff
2014-11-06
Dawid Jagiela
1) changes for FindMPI macro in source/unres/src_MD_DFA
tree
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commitdiff
2014-11-05
Dawid Jagiela
fixed marge problem
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
2014-10-26
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
2014-10-14
Dawid Jagieła
fixed CMake variable typo
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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
2014-07-04
Adam Kazimierz Sie...
BUG FIX for SUMSL minimization
tree
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commitdiff
2014-06-24
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2014-06-24
Adam Sieradzan
bug fix for langevin dynamics
tree
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commitdiff
2014-06-24
Cezary Czaplewski
Makefile without debuging
tree
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commitdiff
2014-06-18
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2014-06-18
Cezary Czaplewski
dyn-ss in MD-M
tree
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commitdiff
2014-06-17
Adam Kazimierz Sie...
dalej wylaczona diagnostyka
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commitdiff
2014-06-17
Adam Kazimierz Sie...
wylacznie diagnostyki
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commitdiff
2014-06-17
Cezary Czaplewski
correcter Makefile and errors side chain parameters
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commitdiff
2014-06-03
Dawid Jagieła
fixed binary name generation in unres/src_MD-M
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commitdiff
2014-06-03
Dawid Jagieła
wywalka smieci - ludzie budujcie w katalogu build!
tree
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commitdiff
2014-05-08
Adam Sieradzan
wlaczenie timing
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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
2013-11-06
Dawid Jagiela
junk files cleanup
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 5
tree
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commitdiff
2013-11-05
Adam Sieradzan
pierwsza proba merga devela do adasko
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
tree
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commitdiff
2013-07-16
Adam Sieradzan
NIE PEWNE ZMIANY ZWERYFIKUJ!!
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
2013-02-18
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
2013-02-17
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
2013-02-16
Cezary Czaplewski
no type declaration in common
tree
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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
src_MD-M compiles with old Makefile and common sccor...
tree
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commitdiff
2013-02-16
Cezary Czaplewski
src_MD-M compiles with old Makefile and common sccor...
tree
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commitdiff
2013-02-14
Cezary Czaplewski
compilation only
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commitdiff
2013-02-14
Cezary Czaplewski
compilation only
tree
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commitdiff
2012-12-18
Adam Sieradzan
Usuniecie diagnostyki
tree
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commitdiff
2012-12-12
Adam Kazimierz Sie...
debud OFF
tree
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commitdiff
2012-12-12
Andrei Niadzvedtski
debug ON w MD
tree
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commitdiff
2012-12-10
Adam Sieradzan
zmiana w komonie
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
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commitdiff
2012-12-04
Adam Sieradzan
bugfix w contact parm
tree
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commitdiff
2012-12-03
Andrei Niadzvedtski
Zmiana w wham-m dla pola Yi
tree
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commitdiff
2012-11-30
Adam Sieradzan
zmiana w symetry (bugfix)
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commitdiff
2012-11-26
Adam Kazimierz Sie...
Usuniecie diagnostyki w dzialajacym polu yi src_MD-M
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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
Adam Kazimierz Sie...
Dzialajace gradient dla src_MD-M dla pola Yi
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran foxes in src_CSA/energy_p_new_barrier.F, src_C...
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commitdiff
2012-11-23
Dawid Jagiela
gfortran foxes in src_CSA/energy_p_new_barrier.F, src_C...
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
fix 80 column in initialize_p.F
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commitdiff
2012-11-23
Dawid Jagiela
fix 80 column in initialize_p.F
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
alignment fixes in COMMON.CHAIN for src_MD-M
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commitdiff
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