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cmake default -mcmodel=medium
2020-09-09
Cezary Czaplewski
cmake default -mcmodel=medium
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2020-09-09
Cezary Czaplewski
cmake TIMESTAMP not working with older cmake
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2020-09-09
Cezary Czaplewski
cmake TIMESTAMP instead of COMMAND "date"
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2020-09-06
Cezary Czaplewski
ctest unres-dock wham correction
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2020-09-06
Cezary Czaplewski
external random_init necessary for gfortran 9.3
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2020-09-06
Cezary Czaplewski
ctest UNRES-Dock wham update
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2020-09-05
Cezary Czaplewski
ctest UNRES-Dock update
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2020-09-05
Cezary Czaplewski
Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...
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2020-09-05
Cezary Czaplewski
cluster average over multiple temperatures
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2020-09-04
Cezary Czaplewski
cmake gfortran correction
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2020-05-15
Cezary Czaplewski
src-M MREMD LANG correction
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2020-05-15
Cezary Czaplewski
cmake -mcmodel=medium -shared-intel
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2020-05-15
Cezary Czaplewski
src-M max_template=50
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2020-03-20
Cezary Czaplewski
ctest dock wham ref values
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2020-03-15
Cezary Czaplewski
ctest grep -v NaN
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2020-03-15
Cezary Czaplewski
ctest grep -v "NaN NaN NaN"
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2020-03-10
Cezary Czaplewski
UNRES-Dock generator real rand
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2020-03-09
Cezary Czaplewski
UNRES-Dock ctest
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2020-03-02
Cezary Czaplewski
UNRES-Dock example update
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2020-03-01
Cezary Czaplewski
UNRES-Dock example output
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2020-02-29
Cezary Czaplewski
default cmake FF E0LL2Y
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2020-02-29
Cezary Czaplewski
cleaning of some files
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2020-02-29
Cezary Czaplewski
UNRES-Dock example
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2020-02-26
Cezary Czaplewski
unres-dock generator cmake
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2019-10-18
Cezary Czaplewski
dist1cut wham & cluster
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2019-05-13
Cezary Czaplewski
dist1cut
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2019-04-04
Cezary Czaplewski
rm all old executables
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2019-04-03
Cezary Czaplewski
ctest gfortran UNRES_M_multi_min
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2019-04-03
Cezary Czaplewski
ctest UNRES_M_ss_static_min
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2019-04-03
Cezary Czaplewski
initialize eliptran=0
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2019-04-03
Cezary Czaplewski
edis ctest multichain
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2019-04-03
Cezary Czaplewski
gfortran ctest
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2019-04-02
Cezary Czaplewski
dissulfides energy and gfortran ctests
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2019-04-02
Cezary Czaplewski
wham gfortran single chain corrections
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2019-04-02
Cezary Czaplewski
wham thermal gfortran end of line $
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2019-03-28
Cezary Czaplewski
doc update
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2019-03-19
Cezary Czaplewski
xdrf2pdb-m-mult bug corrected
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2018-10-29
Cezary Czaplewski
start from unres_pdb Adam's correction
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2018-08-08
Cezary Czaplewski
NMRpeak_partition after hpb_partition
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2018-08-07
Cezary Czaplewski
NMR log-exp from Adam
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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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