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corrected cluster for lipid
[unres.git]
/
source
/
unres
/
src_MD-M
/
2017-05-16
Adam Sieradzan
print off
tree
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commitdiff
2017-05-16
Adam Sieradzan
change for lipid last gly
tree
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commitdiff
2017-05-08
Adam Sieradzan
comment printout
tree
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commitdiff
2017-05-08
Adam Sieradzan
small changes
tree
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commitdiff
2017-03-30
Adam Sieradzan
critical change for outer field potential -debug off
tree
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commitdiff
2017-03-30
Adam Sieradzan
correction in restart - adding dc0 -critical bug
tree
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commitdiff
2017-03-29
Adam Sieradzan
small chanegs in nanotube + working wham for lipid
tree
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commitdiff
2017-03-24
Adam Sieradzan
working cluster for nano parameters
tree
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commitdiff
2017-03-10
Adam Sieradzan
Correction of D-AA to parmread
tree
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commitdiff
2017-02-21
Adam Sieradzan
introcuction of cavity term for pepgroup for nanosphere
tree
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commitdiff
2017-01-26
Adam Sieradzan
nanophere working
tree
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commitdiff
2017-01-23
Adam Sieradzan
nano part 3
tree
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commitdiff
2017-01-23
Adam Sieradzan
nano part2
tree
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commitdiff
2017-01-23
Adam Sieradzan
introduction nanosphere part 1
tree
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commitdiff
2017-01-12
Adam Sieradzan
correction in tube for parallel code
tree
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commitdiff
2017-01-10
Adam Sieradzan
dodanie parametrow do nanotube
tree
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commitdiff
2016-10-19
Adam Sieradzan
adding some param and control
tree
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commitdiff
2016-07-13
Adam Sieradzan
poprawka w make (usuniecie nss)
tree
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commitdiff
2016-06-14
Adam Sieradzan
clean in COMMON
tree
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commitdiff
2016-05-11
Adam Sieradzan
bug fix in energy src_MD-M
tree
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commitdiff
2016-05-09
Adam Sieradzan
change of shield sending and receiving buff in MPI
tree
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commitdiff
2016-05-09
Adam Sieradzan
bugfix in shield FGPROC>1
tree
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commitdiff
2016-04-26
Adam Sieradzan
bug fix in respa and readpdb
tree
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commitdiff
2016-04-21
Adam Sieradzan
debug off
tree
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commitdiff
2016-04-21
Adam Sieradzan
respa cleaning (my bug) and shielding MPI and previous...
tree
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commitdiff
2016-04-19
Adam Sieradzan
modyfication for tube
tree
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commitdiff
2016-04-01
Adam Sieradzan
AFM+tube+kcc
tree
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commitdiff
2016-03-30
Adam Sieradzan
introduction of infinite cylinder potential - currently...
tree
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commitdiff
2016-03-30
Adam Sieradzan
wham is prining energies; all "good" changes seems...
tree
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commitdiff
2016-03-08
Adam Sieradzan
bug fix after Ana and cluster lipid (still in progress)
tree
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commitdiff
2016-02-11
Adam Sieradzan
introduction of shielding to cluster DEBUG mode
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commitdiff
2016-02-03
Adam Sieradzan
correction in wham and UNRES for lipid and correlation
tree
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commitdiff
2016-01-14
Adam Sieradzan
Merge branch 'AFM' of mmka:unres into AFM
tree
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commitdiff
2016-01-12
Adam Sieradzan
changes in wham
tree
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commitdiff
2016-01-03
Adam Liwo
New valence-torsionals completed
tree
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commitdiff
2015-12-11
Adam Sieradzan
changes in shielding
tree
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commitdiff
2015-12-02
Adam Sieradzan
correction in shield
tree
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commitdiff
2015-11-27
Adam Sieradzan
AFM cleaning with pgi compiler
tree
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commitdiff
2015-11-26
Adam Sieradzan
implementation of czybyszeb grad ok
tree
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commitdiff
2015-11-20
Adam Sieradzan
adding of Czybyshev part 1
tree
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commitdiff
2015-11-06
Adam Sieradzan
working gradient for shielding - even the fine grain...
tree
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commitdiff
2015-11-02
Adam Sieradzan
rozgrzebany shield
tree
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commitdiff
2015-10-21
Adam Sieradzan
sprawdzenie shieldingu
tree
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commitdiff
2015-10-12
Adam Sieradzan
debug off
tree
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commitdiff
2015-09-29
Adam Sieradzan
Merge branch 'lipid' into AFM
tree
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commitdiff
2015-09-29
Adam Sieradzan
ESSENTIAL CHANGE - BUG FIX in ENERGY to have old Correl...
tree
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commitdiff
2015-09-29
Adam Sieradzan
wham in lipid still diff
tree
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commitdiff
2015-09-23
Adam Sieradzan
bug fix in extconf
tree
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commitdiff
2015-09-22
Adam Sieradzan
working shielding
tree
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commitdiff
2015-09-09
Adam Sieradzan
changes in parameter file and debug off
tree
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commitdiff
2015-09-09
Adam Sieradzan
new lipid potentials
tree
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commitdiff
2015-09-08
Adam Sieradzan
Shielding part 2
tree
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commitdiff
2015-09-01
Adam Sieradzan
introduction of shielding effect (volume of overlap)
tree
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commitdiff
2015-08-06
Adam Sieradzan
Merge branch 'devel' into AFM
tree
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commitdiff
2015-08-06
Adam Sieradzan
first changes for shielding
tree
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commitdiff
2015-08-06
Adam Sieradzan
Merge branch 'AFM' into multichain
tree
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commitdiff
2015-08-06
Adam Sieradzan
intoduction of constant velocity for spring
tree
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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
tree
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commitdiff
2015-07-31
Adam Sieradzan
First trial to introduce steered MD non successful
tree
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commitdiff
2015-07-28
Adam Sieradzan
Intoduction Lorentizan like restrains to cluster
tree
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commitdiff
2015-07-21
Adam Sieradzan
WHAM for Lorentzian like constrains fixed - DEBUG OFF
tree
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commitdiff
2015-07-17
Adam Sieradzan
first attempt to indroduce AFM velocity
tree
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commitdiff
2015-07-06
Adam Sieradzan
Merge branch 'multichain' of mmka:unres into multichain
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
tree
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commitdiff
2015-06-30
rojas
Change in energy_p_new_barrier.F, in eelec, aorund...
tree
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commitdiff
2015-06-26
Adam Sieradzan
Changes suggested by Ana
tree
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commitdiff
2015-06-25
Adam Sieradzan
Merge branch 'lipid' into AFM
tree
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commitdiff
2015-06-25
Adam Sieradzan
removal of double returnbox
tree
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commitdiff
2015-06-25
Adam Sieradzan
Merge branch 'multichain' into lipid
tree
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commitdiff
2015-06-24
Dawid Jagiela
removed uninitialized ghalf from equation
tree
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commitdiff
2015-06-23
Adam Sieradzan
small fix in lipids
tree
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commitdiff
2015-05-26
Dawid Jagiela
removed obsolite code in ssMD.F files
tree
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commitdiff
2015-05-25
Adam Sieradzan
TRISS debug
tree
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commitdiff
2015-05-25
Adam Sieradzan
Warnig Debug ON
tree
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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
tree
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commitdiff
2015-05-06
Adam Sieradzan
correction in readpdb (bugfix)
tree
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commitdiff
2015-04-23
Adam Sieradzan
zmiany w geomout dla AFM
tree
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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
2015-04-17
Adam Sieradzan
Zaimplementowany AFM
tree
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commitdiff
2015-04-13
Adam Sieradzan
poprawka w intcartderiv
tree
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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
2015-03-25
Adam Sieradzan
important change for single processor for multi-chain
tree
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commitdiff
2015-03-19
Adam Sieradzan
chyba dzialajacy lipid
tree
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commitdiff
2015-03-18
Adam Sieradzan
Merge branch 'multichain' into lipid
tree
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commitdiff
2015-03-18
Adam Sieradzan
correction of correlation potentials
tree
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commitdiff
2015-03-18
Adam Sieradzan
poprawki w potencjalach
tree
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commitdiff
2015-03-16
Adam Sieradzan
drobne poprawki
tree
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commitdiff
2015-03-04
Adam Sieradzan
Merge branch 'multichain' of mmka:unres into lipid
tree
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commitdiff
2015-03-04
Adam Sieradzan
correction in multichain
tree
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commitdiff
2015-03-04
Adam Sieradzan
introduce lipid good grad wrong symplex
tree
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commitdiff
2015-02-24
Adam Sieradzan
Merge branch 'master' into multichain
tree
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commitdiff
2015-02-19
Adam Sieradzan
poprawki w ANG w src_MD-M
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commitdiff
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