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zmiany w Cmake i dodanie sprawdzenia gradientu
[unres.git]
/
source
/
unres
/
src_MD
/
cinfo.f
2013-10-30
Cezary Czaplewski
Makefile for pgi 2013
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commitdiff
2013-10-30
Cezary Czaplewski
testing Makefile for pgi compiler
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commitdiff
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diff to current
2013-05-07
Cezary Czaplewski
some corrections in xdrf2pdb-m for dyn_ss
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commitdiff
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diff to current
2013-05-07
Cezary Czaplewski
some corrections in xdrf2pdb-m for dyn_ss
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commitdiff
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diff to current
2013-04-08
Cezary Czaplewski
correct writing of dyn_ss for cx and x
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commitdiff
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diff to current
2013-04-08
Cezary Czaplewski
correct writing of dyn_ss for cx and x
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commitdiff
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diff to current
2013-02-19
Cezary Czaplewski
dyn_ss and other finegrain printout cleaning
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commitdiff
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diff to current
2013-02-19
Cezary Czaplewski
dyn_ss and other finegrain printout cleaning
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commitdiff
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diff to current
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization...
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commitdiff
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diff to current
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization...
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commitdiff
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diff to current
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization
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commitdiff
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diff to current
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization
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commitdiff
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diff to current
2013-02-18
Cezary Czaplewski
compilation only
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commitdiff
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diff to current
2013-02-18
Cezary Czaplewski
compilation only
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commitdiff
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diff to current
2013-02-17
Cezary Czaplewski
dyn_ss writing pdb and ihpb cleaning
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commitdiff
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diff to current
2013-02-17
Cezary Czaplewski
dyn_ss writing pdb and ihpb cleaning
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commitdiff
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diff to current
2013-02-16
Cezary Czaplewski
classical Makefile cleaning
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commitdiff
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diff to current
2013-02-16
Cezary Czaplewski
classical Makefile cleaning
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commitdiff
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diff to current
2013-02-15
Cezary Czaplewski
dynamic disulfides are working again in md
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commitdiff
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diff to current
2013-02-15
Cezary Czaplewski
dynamic disulfides are working again in md
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commitdiff
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diff to current
2013-02-15
Cezary Czaplewski
adding ename to statout with PRINT_COMPON
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commitdiff
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diff to current
2013-02-15
Cezary Czaplewski
adding ename to statout with PRINT_COMPON
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commitdiff
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diff to current
2013-02-15
Cezary Czaplewski
MULTCONF is working now
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commitdiff
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diff to current
2013-02-15
Cezary Czaplewski
MULTCONF is working now
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commitdiff
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diff to current
2013-02-15
Cezary Czaplewski
error message when reading SCCOR corrected
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commitdiff
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diff to current
2013-02-15
Cezary Czaplewski
error message when reading SCCOR corrected
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commitdiff
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diff to current
2013-02-15
Cezary Czaplewski
ss_dyn compiles with make and with cmake
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commitdiff
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diff to current
2013-02-15
Cezary Czaplewski
ss_dyn compiles with make and with cmake
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commitdiff
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diff to current
2013-02-15
Cezary Czaplewski
dynamic SS from old Maurizio's code
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commitdiff
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diff to current
2013-02-15
Cezary Czaplewski
dynamic SS from old Maurizio's code
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commitdiff
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diff to current
2012-11-22
Adam Kazimierz Sie...
zmiany najnowsze
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commitdiff
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diff to current
2012-10-30
Adam Kazimierz Sie...
pseudosymetria D-aminokwasow dla potencjalow SCCOR
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commitdiff
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diff to current
2012-09-20
Adam Liwo
Update
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commitdiff
2012-09-20
Adam Liwo
Update
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commitdiff
2012-08-24
Adam Kazimierz Sie...
Dzialajaczy dla D aminokwasow whama(mono) psuedosymetri...
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commitdiff
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diff to current
2012-07-18
Adam Liwo
Implement minor changes on branch adam
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commitdiff
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diff to current
2012-07-18
Adam Liwo
Implement minor changes on branch adam
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commitdiff
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diff to current
2012-07-18
Adam Kazimierz Sie...
Revert "Merge branch 'adasko' into devel"
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commitdiff
2012-07-18
Adam Kazimierz Sie...
Revert "Merge branch 'adasko' into devel"
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commitdiff
2012-07-17
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
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commitdiff
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diff to current
2012-07-17
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
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commitdiff
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diff to current
2012-07-17
Adam Kazimierz Sie...
D i L aminokwasy dzialajace dla src_MD
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diff to current
2012-07-17
Adam Kazimierz Sie...
D i L aminokwasy dzialajace dla src_MD
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diff to current
2012-07-09
Adam Kazimierz Sie...
D i L aminokwasy tuz przed testami
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commitdiff
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diff to current
2012-07-09
Adam Kazimierz Sie...
D i L aminokwasy tuz przed testami
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commitdiff
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diff to current
2012-07-06
Adam Kazimierz Sie...
zmiana do DiL
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commitdiff
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diff to current
2012-07-06
Adam Kazimierz Sie...
zmiana do DiL
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commitdiff
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diff to current
2012-07-05
Adam Kazimierz Sie...
zmiana binarki...
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diff to current
2012-07-05
Adam Kazimierz Sie...
zmiana binarki...
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diff to current
2012-07-05
Adam Liwo
Merge branch 'adam' into devel
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commitdiff
2012-07-05
Adam Liwo
Merge branch 'adam' into devel
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commitdiff
2012-07-05
Adam Liwo
5/7/2012 by Adam
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commitdiff
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diff to current
2012-07-05
Adam Liwo
5/7/2012 by Adam
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commitdiff
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diff to current
2012-07-05
Adam Kazimierz Sie...
hotfix of SCCOR potentials
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commitdiff
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diff to current
2012-07-05
Adam Kazimierz Sie...
hotfix of SCCOR potentials
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commitdiff
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diff to current
2012-07-05
Adam Kazimierz Sie...
Rozgrzebany DIL
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commitdiff
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diff to current
2012-07-05
Adam Kazimierz Sie...
Rozgrzebany DIL
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commitdiff
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diff to current
2012-06-27
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
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commitdiff
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diff to current
2012-06-27
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
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commitdiff
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diff to current
2012-06-27
Adam Kazimierz Sie...
Wprowadzenie SCCOR do WHAMa i CLUSTROWNIA
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commitdiff
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diff to current
2012-06-18
Dawid Jagiela
resolving merge conflicts
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commitdiff
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diff to current
2012-06-18
Dawid Jagiela
resolving merge conflicts
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commitdiff
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diff to current
2012-06-18
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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diff to current
2012-06-18
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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commitdiff
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diff to current
2012-06-18
Adam Kazimierz Sie...
zmiany po usunieciu diagnostyki...
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commitdiff
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diff to current
2012-06-15
Adam Kazimierz Sie...
dzialajacy grad check....
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diff to current
2012-06-14
Adam Liwo
6/14/2012 by Adam
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commitdiff
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diff to current
2012-06-14
Adam Liwo
6/14/2012 by Adam
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commitdiff
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diff to current
2012-06-14
Adam Kazimierz Sie...
Dzialajacy INTERTYP=1 i INTERTYP=2
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diff to current
2012-06-11
Adam Liwo
6/11/2012 by Adam
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commitdiff
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diff to current
2012-06-11
Adam Liwo
6/11/2012 by Adam
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commitdiff
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diff to current
2012-06-11
Adam Liwo
6/11/2012 Update of the CSA version
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commitdiff
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diff to current
2012-06-11
Adam Liwo
6/11/2012 Update of the CSA version
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commitdiff
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diff to current
2012-05-13
Adam Liwo
5/13/2012 by Adam
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commitdiff
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diff to current
2012-05-13
Adam Liwo
5/13/2012 by Adam
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commitdiff
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diff to current
2012-05-13
Adam Liwo
5/13/2012 by Adam
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commitdiff
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diff to current
2012-05-13
Adam Liwo
5/13/2012 by Adam
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commitdiff
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diff to current
2012-04-02
Adam Liwo
Makefiles for specific compilers and force fields created
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commitdiff
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diff to current
2012-03-29
Adam Liwo
Makefile_single_gfortran_oldparm corrected to include...
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commitdiff
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diff to current
2012-03-28
Cezary Czaplewski
removal of CSA from MD version of code
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diff to current
2012-02-25
Dawid Jagieła
added source code
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diff to current