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READ_HOMOL_FRAG src-M correction
[unres.git]
/
source
/
wham
/
2018-07-14
Cezary Czaplewski
READ_HOMOL_FRAG src-M correction
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commitdiff
2018-07-13
Cezary Czaplewski
READ_HOMOL_FRAG wham cluster_wham src-M
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commitdiff
2018-06-22
Cezary Czaplewski
wham and cluster_wham Adam's new constr_dist multichain
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commitdiff
2018-06-22
Cezary Czaplewski
wham correction of last commits
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commitdiff
2018-06-22
Cezary Czaplewski
wham no energy_dec
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commitdiff
2018-06-22
Cezary Czaplewski
wham Adam's new constr_dist single chain
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commitdiff
2018-05-25
Cezary Czaplewski
max_template=50 wham cluster
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commitdiff
2018-05-16
Cezary Czaplewski
wham & cluster src_MD-M new HOMOL energy
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commitdiff
2018-05-15
Cezary Czaplewski
gfortran error for wham_m
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commitdiff
2018-05-07
Cezary Czaplewski
HOMOL klapaucjusz correction
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commitdiff
2018-04-25
Cezary Czaplewski
HOMOL wham/cluster new dihed constrain cos function
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commitdiff
2018-04-23
Cezary Czaplewski
new HOMOL energy wham & cluster
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commitdiff
2018-03-26
Cezary Czaplewski
READ_HOMOL_FRAG wham
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commitdiff
2018-03-22
Cezary Czaplewski
wham cluster ignores missing dat file for wdfab=0
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commitdiff
2018-03-21
Cezary Czaplewski
PARAM iter1_7p single chain
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commitdiff
2018-02-02
Cezary Czaplewski
wham maxsym=10
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commitdiff
2018-01-27
Cezary Czaplewski
wham SAXS cutoff
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commitdiff
2017-12-21
Cezary Czaplewski
saxs SCAL_RAD input parameter
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commitdiff
2017-12-19
Cezary Czaplewski
ctest wham & cluster src-M
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commitdiff
2017-12-17
Cezary Czaplewski
saxs and adam's corrections to multichain
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commitdiff
2017-09-29
Cezary Czaplewski
pgf90 common cleaning
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commitdiff
2017-09-29
Cezary Czaplewski
cmake pgf90
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commitdiff
2017-09-27
Cezary Czaplewski
rm uscdiff
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commitdiff
2017-09-26
Cezary Czaplewski
cmake config typo
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commitdiff
2017-09-26
Cezary Czaplewski
gfortran wham and cluster -mcmodel=medium
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commitdiff
2017-09-25
Cezary Czaplewski
dimensions
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commitdiff
2017-08-12
Cezary Czaplewski
multichain cleaning output
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commitdiff
2017-03-02
Cezary Czaplewski
ctest wham cluster
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commitdiff
2017-02-24
Cezary Czaplewski
wham src-M corrections to match unres energy
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commitdiff
2016-09-13
Cezary Czaplewski
HOMOL_NSET in wham input keyword correction
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commitdiff
2016-08-24
Cezary Czaplewski
Lorentzian restraints on distances in wham
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commitdiff
2016-07-04
Cezary Czaplewski
multichain maxres=1000
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commitdiff
2016-06-26
Cezary Czaplewski
wham also in single chain ignores conf. energies>10E6
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commitdiff
2016-06-19
Cezary Czaplewski
correction for idihconstr_end_homo, no differ in wham now
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commitdiff
2016-06-14
Cezary Czaplewski
multichain wham and cluster_wham use readpdb_template
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commitdiff
2016-06-11
Cezary Czaplewski
correction to the last commit - cleaning of homo restraints
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commitdiff
2016-06-10
Cezary Czaplewski
multichain wham ignores conf. energies>10E6 and speed...
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commitdiff
2016-06-08
Cezary Czaplewski
single chain correction of dihedral homology restraints...
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commitdiff
2016-05-25
Cezary Czaplewski
intel compiler option correction for wham/src-M
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commitdiff
2016-05-19
Cezary Czaplewski
correction of dihedral homology restraints phi(i+3)
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commitdiff
2016-05-12
Cezary Czaplewski
MaxT_h=36
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commitdiff
2016-05-12
Cezary Czaplewski
the first working version of multichain homology
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commitdiff
2016-05-05
Cezary Czaplewski
dfa wham and cluster corrections
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commitdiff
2016-05-05
Cezary Czaplewski
read2sigma in wham and cluster_wham
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commitdiff
2016-04-29
Cezary Czaplewski
ctest -DUNRES_MPIRUN=1 for tryton
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commitdiff
2016-04-28
Cezary Czaplewski
ctest for src-M are off
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commitdiff
2016-04-27
Cezary Czaplewski
ctest copied from prerelease
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commitdiff
2016-04-12
Cezary Czaplewski
constr_homol corrections in wham and cluster_wham to...
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commitdiff
2016-04-12
Cezary Czaplewski
wham corrections
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commitdiff
2016-04-12
Cezary Czaplewski
first and last GLY in seq gives correct energy in unres...
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commitdiff
2016-03-18
Cezary Czaplewski
arcos = 0.5D0*(PI-DSIGN(1.0D0,X)*PI)
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commitdiff
2016-03-16
Cezary Czaplewski
Adam's corrections to wham
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commitdiff
2016-03-04
Cezary Czaplewski
Adam's changes to wham and cluster following previous...
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commitdiff
2016-03-03
Cezary Czaplewski
max_template instead of fix number 19 in wham and cluster
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commitdiff
2016-02-25
Cezary Czaplewski
some corrections to previous commit from nostromo
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commitdiff
2016-02-25
Cezary Czaplewski
Adam's changes from nostromo to wham with homology
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commitdiff
2016-01-28
Cezary Czaplewski
compilation of large wham with -mcmodel=medium -shared...
tree
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commitdiff
2016-01-28
Cezary Czaplewski
cleaning (links and backup files)
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commitdiff
2016-01-28
Cezary Czaplewski
all CMakeLists.txt updated with corrected names and...
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commitdiff
2016-01-28
Cezary Czaplewski
correction - adding ehomology_constr
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commitdiff
2015-07-17
Adam Liwo
Added Makefiles
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commitdiff
2015-06-28
Adam Liwo
Fixes to compile WHAM and CLUSTER on AIX (nostromo...
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commitdiff
2015-06-12
Adam Liwo
Fixed the homology gradient in finegrain mode
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commitdiff
2015-06-07
Adam Liwo
Added an option to compile unres, wham, and cluster...
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commitdiff
2015-06-07
Adam Liwo
Fixes made in connection to Hamiltonian replica exchang...
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commitdiff
2015-05-28
Adam Liwo
Fixed main module of WHAM
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commitdiff
2015-05-14
Adam Liwo
Fixed the following components:
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commitdiff
2015-05-13
Adam Liwo
Fixed a MAJOR error in WHAM; energies were computed...
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commitdiff
2015-05-07
Cezary Czaplewski
cmake compilation for cluster and wham repaired
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commitdiff
2015-04-16
Felipe Pineda
WHAM and CLUSTER with HM restraints by AL and FP
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commitdiff
2015-01-22
Adam Sieradzan
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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commitdiff
2015-01-19
Adam Sieradzan
dzialajacy wham+poprawka w funckji energi+ poprawka...
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commitdiff
2015-01-05
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
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commitdiff
2015-01-05
Adam Liwo
Added cinfo
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commitdiff
2015-01-04
Adam Sieradzan
Naprawienie wham'a oraz wprowadzenie SCcorr do CSA
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commitdiff
2014-12-18
Adam Kazimierz Sie...
Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy...
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commitdiff
2014-12-18
Adam Kazimierz Sie...
Wprowadzenie SCCOR dla wham-M
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commitdiff
2014-12-18
Adam Kazimierz Sie...
Rozgrzebany SCCOR dla wham-M
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commitdiff
2014-11-28
Adam Liwo
Trying to bring files - continued
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commitdiff
2014-11-27
Adam Liwo
Fixed Makefiles, handle all force fields thru appropria...
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commitdiff
2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
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commitdiff
2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
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commitdiff
2014-10-08
Cezary Czaplewski
correct default option for compilers in wham CmakeList.txt
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commitdiff
2013-08-31
Adam Kazimierz Sie...
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
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commitdiff
2013-08-31
Adam Kazimierz Sie...
zmiany w prereleasie drobne
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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...
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commitdiff
2013-08-07
Adam Sieradzan
usuniecie diagnostyki
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commitdiff
2013-07-25
Dawid Jagiela
fixed WHAM for gfortran: src/energy_p_new.F
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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...
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
2013-02-17
Adam Liwo
Fixed the addition of dummy chain ends to structures...
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commitdiff
2013-02-16
Cezary Czaplewski
common sccor rename to avoid conflict with torsion
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commitdiff
2013-01-10
Dawid Jagiela
fixed missing closing bracket
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commitdiff
2013-01-10
Dawid Jagiela
WHAM -DISNAN fix
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commitdiff
2013-01-10
Dawid Jagiela
added UNRES_MD_FF setting for WHAM in (wham & cluster...
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in local_move.f, energy_p_new.F & initia...
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