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box shift in wham from Adam
2018-07-25
Cezary Czaplewski
box shift in wham from Adam
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2018-07-25
Cezary Czaplewski
out-of-bounds stdfsc from Adam
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2018-07-20
Cezary Czaplewski
no stop Bad cartesian readpdb cluster
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2018-07-20
Cezary Czaplewski
no stop after Bad Cartesians in wham
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2018-07-14
Cezary Czaplewski
READ_HOMOL_FRAG src-M correction
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2018-07-13
Cezary Czaplewski
READ_HOMOL_FRAG wham cluster_wham src-M
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2018-07-11
Cezary Czaplewski
READ_HOMOL_FRAG unres src_MD-M
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2018-07-06
Cezary Czaplewski
saxs fgproc>1 Adam's correction
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2018-06-22
Cezary Czaplewski
wham and cluster_wham Adam's new constr_dist multichain
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2018-06-22
Cezary Czaplewski
cluster_wham Adam's new constr_dist single chain
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2018-06-22
Cezary Czaplewski
wham correction of last commits
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2018-06-22
Cezary Czaplewski
wham no energy_dec
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2018-06-22
Cezary Czaplewski
wham Adam's new constr_dist single chain
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2018-06-22
Cezary Czaplewski
read_cart correction
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2018-06-22
Cezary Czaplewski
Adam's new constr_dist single chain
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2018-06-22
Cezary Czaplewski
rlornmr1
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2018-06-22
Cezary Czaplewski
Adam's new constr_dist
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2018-06-04
Cezary Czaplewski
klapaucjusz gebon.csh
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2018-05-29
Cezary Czaplewski
klapaucjusz update
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2018-05-25
Cezary Czaplewski
max_template=50 wham cluster
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2018-05-25
Cezary Czaplewski
max_template=50
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2018-05-22
Cezary Czaplewski
sc_move slower total energy that works for FGPROCS>1
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2018-05-21
Cezary Czaplewski
overlap only master FGPROCS>1
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2018-05-16
Cezary Czaplewski
wham & cluster src_MD-M new HOMOL energy
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2018-05-16
Cezary Czaplewski
unres src_MD-M now HOMOL energy
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2018-05-16
Cezary Czaplewski
ctest 1l2y_micro.inp dt=0.008
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2018-05-16
Cezary Czaplewski
energy_dec src_MD
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2018-05-15
Cezary Czaplewski
gfortran error for wham_m
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2018-05-15
Cezary Czaplewski
ctest update for dfa homology
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2018-05-07
Cezary Czaplewski
HOMOL klapaucjusz correction
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2018-04-25
Cezary Czaplewski
HOMOL wham/cluster new dihed constrain cos function
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2018-04-24
Cezary Czaplewski
HOMOL new dihed constrain cos function
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2018-04-24
Cezary Czaplewski
readpdb lside1 correction
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2018-04-23
Cezary Czaplewski
new HOMOL energy wham & cluster
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2018-04-20
Cezary Czaplewski
new HOMOL energy
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2018-04-17
Cezary Czaplewski
rescore=0.2 rescore2=1.0 mdpdb append
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2018-04-05
Cezary Czaplewski
Adam's corrections to HOMOL_FRAG program
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2018-04-05
Cezary Czaplewski
program genereating HOMOL_FRAG consensus fragments
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2018-04-05
Cezary Czaplewski
ENDMDL cluster_wham/src
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2018-03-26
Cezary Czaplewski
READ_HOMOL_FRAG cluster_wham
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2018-03-26
Cezary Czaplewski
READ_HOMOL_FRAG wham
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2018-03-26
Cezary Czaplewski
READ_HOMOL_FRAG
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2018-03-22
Cezary Czaplewski
wham cluster ignores missing dat file for wdfab=0
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2018-03-22
Cezary Czaplewski
parallel DFA_D DFA_T DFA_N
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2018-03-21
Cezary Czaplewski
dfa prints correct error missing files
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2018-03-21
Cezary Czaplewski
PARAM iter1_7p single chain
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2018-02-02
Cezary Czaplewski
wham maxsym=10
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2018-01-31
Cezary Czaplewski
multichain geomout corrected
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2018-01-27
Cezary Czaplewski
cluster wham SACS cutoff
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2018-01-27
Cezary Czaplewski
wham SAXS cutoff
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2018-01-27
Cezary Czaplewski
wsaxs0 and map
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2018-01-08
Cezary Czaplewski
SAXS cutoff saxs_cutoff.eq.0
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2018-01-03
Cezary Czaplewski
SAXS cutoff correct gradiend and cutoff scaling
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2018-01-02
Cezary Czaplewski
SAXS cutoff correction
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2018-01-02
Cezary Czaplewski
SAXS cutoff correction
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2018-01-02
Cezary Czaplewski
DiL PARAM update
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2018-01-02
Cezary Czaplewski
SAXS cutoff
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2017-12-22
Cezary Czaplewski
xdrf2pdb D amino
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2017-12-21
Cezary Czaplewski
xdrf2pdb-m-mult time t_bath printout
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2017-12-21
Cezary Czaplewski
saxs SCAL_RAD input parameter
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2017-12-19
Cezary Czaplewski
ctest wham & cluster src-M
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2017-12-17
Cezary Czaplewski
saxs and adam's corrections to multichain
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2017-10-04
Cezary Czaplewski
xdrf2pdb-m MREMD no uconst_back
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2017-09-29
Cezary Czaplewski
pgf90 common cleaning
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2017-09-29
Cezary Czaplewski
cmake pgf90
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2017-09-29
Cezary Czaplewski
isnan_pgi
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2017-09-28
Cezary Czaplewski
gfortran error
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2017-09-28
Cezary Czaplewski
gfortran error
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2017-09-27
Cezary Czaplewski
rm uscdiff
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2017-09-26
Cezary Czaplewski
rm uscdiff
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2017-09-26
Cezary Czaplewski
gfortran errors
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2017-09-26
Cezary Czaplewski
gfortran error
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2017-09-26
Cezary Czaplewski
cmake config typo
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2017-09-26
Cezary Czaplewski
gfortran wham and cluster -mcmodel=medium
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2017-09-26
Cezary Czaplewski
imax0 not in gfortran
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2017-09-25
Cezary Czaplewski
dimensions
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2017-08-26
Cezary Czaplewski
files for opt-wtfsa-2 and chainbuild_ext
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2017-08-25
Cezary Czaplewski
remd random start loop until low ene
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2017-08-12
Cezary Czaplewski
multichain cleaning output
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2017-08-12
Cezary Czaplewski
multichain cluster can select number of clusters instead...
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2017-08-12
Cezary Czaplewski
unres multichain extconf MD chainbuild
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2017-03-21
Cezary Czaplewski
compiler directive UNROLL(0) in eturn3
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2017-03-10
Cezary Czaplewski
correct gradient on cray okeanos
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2017-03-10
Cezary Czaplewski
Adasko D-aminoacid correction
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2017-03-09
Cezary Czaplewski
ctest src_MD-M ref ene and missing files
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2017-03-09
Cezary Czaplewski
ctest src_MD-M corrections
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2017-03-09
Cezary Czaplewski
ctest checkgrad ref ene and limits
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2017-03-04
Cezary Czaplewski
ctest checkgrad
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2017-03-04
Cezary Czaplewski
ctest
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2017-03-04
Cezary Czaplewski
ctest ene multichain
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2017-03-03
Cezary Czaplewski
ctest too large output from some tests
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2017-03-03
Cezary Czaplewski
ctest multichain
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2017-03-02
Cezary Czaplewski
ctest wham cluster
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2017-02-28
Cezary Czaplewski
ctest energy homology test
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2017-02-28
Cezary Czaplewski
ctest correction
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2017-02-28
Cezary Czaplewski
ctest correction
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2017-02-28
Cezary Czaplewski
ctest dfa and homology
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2017-02-27
Cezary Czaplewski
ctest corrections
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2017-02-27
Cezary Czaplewski
ctest minim cart test not working for prota.pdb using...
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2017-02-27
Cezary Czaplewski
ctest checkgrad added
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