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bug fix in energy src_MD-M
2016-05-11
Adam Sieradzan
bug fix in energy src_MD-M
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2016-05-09
Adam Sieradzan
change of shield sending and receiving buff in MPI
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2016-05-09
Adam Sieradzan
bugfix in shield FGPROC>1
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2016-04-26
Adam Sieradzan
bug fix in respa and readpdb
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2016-04-21
Adam Sieradzan
debug off
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2016-04-21
Adam Sieradzan
respa cleaning (my bug) and shielding MPI and previous...
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2016-04-19
Adam Sieradzan
modyfication for tube
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2016-04-01
Adam Sieradzan
AFM+tube+kcc
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2016-03-30
Adam Sieradzan
introduction of infinite cylinder potential - currently...
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2016-03-30
Adam Sieradzan
wham is prining energies; all "good" changes seems...
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2016-03-15
Adam Sieradzan
correct in cluster (working)
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2016-03-08
Adam Sieradzan
bug fix after Ana and cluster lipid (still in progress)
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2016-02-11
Adam Sieradzan
working cluser DEBUG OFF
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2016-02-11
Adam Sieradzan
introduction of shielding to cluster DEBUG mode
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2016-02-04
Adam Sieradzan
BUG FIX in arcos.f
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2016-02-03
Adam Sieradzan
correction in wham and UNRES for lipid and correlation
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2016-01-14
Adam Sieradzan
Adding new param files for Czybyszew
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2016-01-14
Adam Sieradzan
Merge branch 'AFM' of mmka:unres into AFM
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2016-01-12
Adam Sieradzan
adding common shield
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2016-01-12
Adam Sieradzan
changes in wham
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2015-12-11
Adam Sieradzan
changes in shielding
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2015-12-02
Adam Sieradzan
correction in shield
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2015-11-27
Adam Sieradzan
AFM cleaning with pgi compiler
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2015-11-26
Adam Sieradzan
implementation of czybyszeb grad ok
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2015-11-20
Adam Sieradzan
adding of Czybyshev part 1
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2015-11-06
Adam Sieradzan
working gradient for shielding - even the fine grain...
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2015-11-02
Adam Sieradzan
rozgrzebany shield
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2015-10-29
Adam Sieradzan
correction in readrefstr
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2015-10-21
Adam Sieradzan
sprawdzenie shieldingu
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2015-10-12
Adam Sieradzan
debug off
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2015-09-29
Adam Sieradzan
Merge branch 'lipid' into AFM
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2015-09-29
Adam Sieradzan
ESSENTIAL CHANGE - BUG FIX in ENERGY to have old Correlation
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2015-09-29
Adam Sieradzan
wham in lipid still diff
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2015-09-29
Adam Sieradzan
modified lipid parm
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2015-09-23
Adam Sieradzan
bug fix in extconf
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2015-09-22
Adam Sieradzan
working shielding
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2015-09-09
Adam Sieradzan
changes in parameter file and debug off
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2015-09-09
Adam Sieradzan
new lipid potentials
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2015-09-08
Adam Sieradzan
Shielding part 2
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2015-09-01
Adam Sieradzan
introduction of shielding effect (volume of overlap)
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2015-08-06
Adam Sieradzan
Merge branch 'devel' into AFM
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2015-08-06
Adam Sieradzan
first changes for shielding
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2015-08-06
Adam Sieradzan
Merge branch 'AFM' into multichain
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2015-08-06
Adam Sieradzan
intoduction of constant velocity for spring
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2015-08-03
Adam Sieradzan
adding of sccor am1 parameter file
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2015-08-03
Adam Sieradzan
1) debug of Lorentzian like constrains in cluster 2...
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2015-08-02
Adam Sieradzan
first introduction of valence constrains - not working yet
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2015-07-31
Adam Sieradzan
introduction of different ftors for each site
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2015-07-31
Adam Sieradzan
First trial to introduce steered MD non successful
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2015-07-28
Adam Sieradzan
Intoduction Lorentizan like restrains to cluster
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2015-07-21
Adam Sieradzan
WHAM for Lorentzian like constrains fixed - DEBUG OFF
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2015-07-20
Adam Sieradzan
debuging WHAM for constrains DEBUG ON
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2015-07-17
Adam Sieradzan
first attempt to indroduce AFM velocity
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2015-07-10
Adam Sieradzan
introduction of quartic an Lonrentz constrains to WHAM
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2015-07-06
Adam Sieradzan
Merge branch 'multichain' of mmka:unres into multichain
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2015-07-06
Adam Sieradzan
intoduction of quartic restrains in multichain, bugfix...
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2015-07-03
Adam Sieradzan
WeFold Lorentzian like potentials introduction
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2015-06-26
Adam Sieradzan
Changes suggested by Ana
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2015-06-25
Adam Sieradzan
Merge branch 'lipid' into AFM
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2015-06-25
Adam Sieradzan
removal of double returnbox
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2015-06-25
Adam Sieradzan
Merge branch 'multichain' into lipid
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2015-06-23
Adam Sieradzan
small fix in lipids
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2015-05-27
Adam Sieradzan
working cluster for dyn_ss and triss
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2015-05-26
Adam Sieradzan
Debug cluster part 2
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2015-05-26
Adam Sieradzan
Cluster debug ON
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2015-05-26
Adam Sieradzan
havebond turnoff
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2015-05-26
Adam Sieradzan
correction of readrtns
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2015-05-26
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
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2015-05-26
Adam Sieradzan
energy_dec to logical
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2015-05-26
Adam Sieradzan
Introduction of dyn_ss and triss to cluster
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2015-05-25
Adam Sieradzan
hidden part of debug
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2015-05-25
Adam Sieradzan
nss*ebr removed
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2015-05-25
Adam Sieradzan
cxread debug 7
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2015-05-25
Adam Sieradzan
debug part 6
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2015-05-25
Adam Sieradzan
Debug 5
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2015-05-25
Adam Sieradzan
another DEBUG
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2015-05-25
Adam Sieradzan
dubug dss part 3
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2015-05-25
Adam Sieradzan
diffrent name for evdw
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2015-05-25
Adam Sieradzan
TRISS debug
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2015-05-25
Adam Sieradzan
Warnig Debug ON
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2015-05-24
Adam Sieradzan
Corrected WHAM and UNRES reading in SS dyn...
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2015-05-23
Adam Sieradzan
Introduction of working dyn_ss and triss. Problems...
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2015-05-23
Adam Sieradzan
Correction in readrtns
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2015-05-23
Adam Sieradzan
Change in line of dyn_ss
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2015-05-22
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
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2015-05-22
Adam Sieradzan
Adding dyn_ss and triss potentials to src-M wham
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2015-05-06
Adam Sieradzan
correction in readpdb (bugfix)
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2015-04-23
Adam Sieradzan
zmiany w geomout dla AFM
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2015-04-17
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
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2015-04-17
Adam Sieradzan
poprawka w COMMON.SBRIDE dla triss
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2015-04-17
Adam Sieradzan
Zaimplementowany AFM
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2015-04-13
Adam Sieradzan
poprawka w intcartderiv
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2015-04-13
Adam Sieradzan
Introduction of SS to newcorr and SSS to src_MD-M
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2015-04-09
Adam Sieradzan
poprawka w pametrach
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2015-03-25
Adam Sieradzan
important change for single processor for multi-chain
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2015-03-19
Adam Sieradzan
chyba dzialajacy lipid
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2015-03-18
Adam Sieradzan
Merge branch 'multichain' into lipid
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2015-03-18
Adam Sieradzan
correction of correlation potentials
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2015-03-18
Adam Sieradzan
poprawki w potencjalach
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2015-03-16
Adam Sieradzan
drobne poprawki
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